sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine

C60H63F9N15NaO9S3 — CID 172937429

IUPACsodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(/C=N/Oc3ccccc3)c2NC2CCCC2)nc1.CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC2CCCC2)nc1.CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C=O)c2NC2CCCC2)nc1.NOc1ccccc1.[H-].[Na+]
InChIInChI=1S/C22H22F3N5O3S.C16H16F3N5O2S.C16H17F3N4O3S.C6H7NO.Na.H/c1-34(31,32)17-11-12-19(26-13-17)30-21(28-15-7-5-6-8-15)18(20(29-30)22(23,24)25)14-27-33-16-9-3-2-4-10-16;1-27(25,26)11-6-7-13(21-9-11)24-15(22-10-4-2-3-5-10)12(8-20)14(23-24)16(17,18)19;1-27(25,26)11-6-7-13(20-8-11)23-15(21-10-4-2-3-5-10)12(9-24)14(22-23)16(17,18)19;7-8-6-4-2-1-3-5-6;;/h2-4,9-15,28H,5-8H2,1H3;6-7,9-10,22H,2-5H2,1H3;6-10,21H,2-5H2,1H3;1-5H,7H2;;/q;;;;+1;-1/b27-14+;;;;;
InChIKeyFNQDYCFWBMAHRS-XDPQPJMESA-N
MW1428.43 g/mol
LogP8.28
Rot. Bonds17

About sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine

sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine (PubChem CID 172937429) has the molecular formula C60H63F9N15NaO9S3 and a molecular weight of 1428.43 g/mol. Its IUPAC name is sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine.

Molecular Properties

Compound Namesodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine
PubChem CID172937429
Molecular FormulaC60H63F9N15NaO9S3
Molecular Weight1428.43 g/mol
Exact Mass1427.38
IUPAC Namesodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(/C=N/Oc3ccccc3)c2NC2CCCC2)nc1.CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC2CCCC2)nc1.CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C=O)c2NC2CCCC2)nc1.NOc1ccccc1.[H-].[Na+]
InChIInChI=1S/C22H22F3N5O3S.C16H16F3N5O2S.C16H17F3N4O3S.C6H7NO.Na.H/c1-34(31,32)17-11-12-19(26-13-17)30-21(28-15-7-5-6-8-15)18(20(29-30)22(23,24)25)14-27-33-16-9-3-2-4-10-16;1-27(25,26)11-6-7-13(21-9-11)24-15(22-10-4-2-3-5-10)12(8-20)14(23-24)16(17,18)19;1-27(25,26)11-6-7-13(20-8-11)23-15(21-10-4-2-3-5-10)12(9-24)14(22-23)16(17,18)19;7-8-6-4-2-1-3-5-6;;/h2-4,9-15,28H,5-8H2,1H3;6-7,9-10,22H,2-5H2,1H3;6-10,21H,2-5H2,1H3;1-5H,7H2;;/q;;;;+1;-1/b27-14+;;;;;
InChIKeyFNQDYCFWBMAHRS-XDPQPJMESA-N
XLogP8.28
TPSA328.34 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.43
LogP ≤ 58.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine with MolForge

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Related Compounds

5-[(4-methylcyclohexyl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22499672
5-[(2,6-dimethylpiperidin-1-yl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10203748
5-(azepan-1-ylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10296173
5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22499661
1-(5-methylsulfonyl-2-pyridinyl)-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 10135176
1-[5-(cyclohexylmethylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499765
[6-[4-cyano-5-(cyclopentylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl acetate
CID 139951431
N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 22499695
2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 10135715
methanamine;5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226767
2-[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 151333347
[6-[4-cyano-5-(2,2-dimethylpropoxy)-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl acetate
CID 139951422

Frequently Asked Questions

What is the IUPAC name of sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine?
The IUPAC name of sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine (CID 172937429) is sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine.
What is the SMILES notation for sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine?
The canonical SMILES for sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(/C=N/Oc3ccccc3)c2NC2CCCC2)nc1.CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC2CCCC2)nc1.CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C=O)c2NC2CCCC2)nc1.NOc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine?
The InChIKey is FNQDYCFWBMAHRS-XDPQPJMESA-N. The full InChI is InChI=1S/C22H22F3N5O3S.C16H16F3N5O2S.C16H17F3N4O3S.C6H7NO.Na.H/c1-34(31,32)17-11-12-19(26-13-17)30-21(28-15-7-5-6-8-15)18(20(29-30)22(23,24)25)14-27-33-16-9-3-2-4-10-16;1-27(25,26)11-6-7-13(21-9-11)24-15(22-10-4-2-3-5-10)12(8-20)14(23-24)16(17,18)19;1-27(25,26)11-6-7-13(20-8-11)23-15(21-10-4-2-3-5-10)12(9-24)14(22-23)16(17,18)19;7-8-6-4-2-1-3-5-6;;/h2-4,9-15,28H,5-8H2,1H3;6-7,9-10,22H,2-5H2,1H3;6-10,21H,2-5H2,1H3;1-5H,7H2;;/q;;;;+1;-1/b27-14+;;;;;.
What are the key properties of sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine?
sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine has a molecular weight of 1428.43 g/mol, XLogP of 8.28, 17 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde;5-(cyclopentylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile;N-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)-4-[(E)-phenoxyiminomethyl]-3-(trifluoromethyl)pyrazol-5-amine;hydride;O-phenylhydroxylamine is sourced from PubChem (CID 172937429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).