ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate

C20H18ClF4N5O3 — CID 19535713

IUPACethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C20H18ClF4N5O3/c1-3-33-20(32)12-9-26-30(11-7-5-4-6-8-11)18(12)27-19(31)10(2)29-15(17(24)25)13(21)14(28-29)16(22)23/h4-10,16-17H,3H2,1-2H3,(H,27,31)
InChIKeyKPNFRDNIKKKIIX-UHFFFAOYSA-N
MW487.84 g/mol
LogP4.97
Rot. Bonds8

About ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate (PubChem CID 19535713) has the molecular formula C20H18ClF4N5O3 and a molecular weight of 487.84 g/mol. Its IUPAC name is ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
PubChem CID19535713
Molecular FormulaC20H18ClF4N5O3
Molecular Weight487.84 g/mol
Exact Mass487.10
IUPAC Nameethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C20H18ClF4N5O3/c1-3-33-20(32)12-9-26-30(11-7-5-4-6-8-11)18(12)27-19(31)10(2)29-15(17(24)25)13(21)14(28-29)16(22)23/h4-10,16-17H,3H2,1-2H3,(H,27,31)
InChIKeyKPNFRDNIKKKIIX-UHFFFAOYSA-N
XLogP4.97
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
CID 19535889
ethyl 5-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19533369
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
ethyl 5-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 122280313
ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 5086610
ethyl 1-phenyl-5-[2-(4-propan-2-ylphenoxy)propanoylamino]pyrazole-4-carboxylate
CID 108761447
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 5014321
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 19535701
ethyl 5-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 108761442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate (CID 19535713) is ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F.
What is the InChIKey of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is KPNFRDNIKKKIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N5O3/c1-3-33-20(32)12-9-26-30(11-7-5-4-6-8-11)18(12)27-19(31)10(2)29-15(17(24)25)13(21)14(28-29)16(22)23/h4-10,16-17H,3H2,1-2H3,(H,27,31).
What are the key properties of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 487.84 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 19535713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).