N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C15H18F3N5O2S — CID 22499695

IUPACN-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)nn2)c1NC1CCCC1
InChIInChI=1S/C15H18F3N5O2S/c1-9-13(15(16,17)18)22-23(14(9)19-10-5-3-4-6-10)11-7-8-12(21-20-11)26(2,24)25/h7-8,10,19H,3-6H2,1-2H3
InChIKeyFKYTWBGXFYJHHJ-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.75
Rot. Bonds4

About N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 22499695) has the molecular formula C15H18F3N5O2S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID22499695
Molecular FormulaC15H18F3N5O2S
Molecular Weight389.40 g/mol
Exact Mass389.11
IUPAC NameN-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)nn2)c1NC1CCCC1
InChIInChI=1S/C15H18F3N5O2S/c1-9-13(15(16,17)18)22-23(14(9)19-10-5-3-4-6-10)11-7-8-12(21-20-11)26(2,24)25/h7-8,10,19H,3-6H2,1-2H3
InChIKeyFKYTWBGXFYJHHJ-UHFFFAOYSA-N
XLogP2.75
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22499661
5-[(4-methylcyclohexyl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22499672
3-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
CID 22226720
5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbaldehyde
CID 22499660
[5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 22499646
3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
CID 22226709
1-[5-(cyclohexylmethylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499765
N-benzyl-3-(difluoromethyl)-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)pyrazol-5-amine
CID 22499541
5-[(2,6-dimethylpiperidin-1-yl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10203748
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
6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine
CID 53073326
5-(azepan-1-ylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10296173

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 22499695) is N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is Cc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)nn2)c1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is FKYTWBGXFYJHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2S/c1-9-13(15(16,17)18)22-23(14(9)19-10-5-3-4-6-10)11-7-8-12(21-20-11)26(2,24)25/h7-8,10,19H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 389.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 22499695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).