5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide

C23H22FN5O — CID 151437289

IUPAC5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide
SMILESCn1nc(C2CCC(c3ccccc3)C2)c(C(=O)Nc2ccc(F)c(C#N)c2)c1N
InChIInChI=1S/C23H22FN5O/c1-29-22(26)20(23(30)27-18-9-10-19(24)17(12-18)13-25)21(28-29)16-8-7-15(11-16)14-5-3-2-4-6-14/h2-6,9-10,12,15-16H,7-8,11,26H2,1H3,(H,27,30)
InChIKeyPDTSGULTKPCGNF-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.32
Rot. Bonds4

About 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide

5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide (PubChem CID 151437289) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide
PubChem CID151437289
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide
SMILESCn1nc(C2CCC(c3ccccc3)C2)c(C(=O)Nc2ccc(F)c(C#N)c2)c1N
InChIInChI=1S/C23H22FN5O/c1-29-22(26)20(23(30)27-18-9-10-19(24)17(12-18)13-25)21(28-29)16-8-7-15(11-16)14-5-3-2-4-6-14/h2-6,9-10,12,15-16H,7-8,11,26H2,1H3,(H,27,30)
InChIKeyPDTSGULTKPCGNF-UHFFFAOYSA-N
XLogP4.32
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(3-bromo-4,5-difluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide
CID 147105499
3-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-5-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 147957832
5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-[5-(3-oxopiperazin-1-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyrazole-4-carboxamide
CID 149036558
5-amino-3-(5-carbamoyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 153570701
5-amino-N-(3-chloro-4-fluorophenyl)-1-methyl-3-(3-phenylcyclobutyl)pyrazole-4-carboxamide
CID 153570757
3-[3-(4-acetamidophenyl)cyclopentyl]-5-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 153570812
5-amino-N-(3-chloro-4-fluorophenyl)-3-[3-(4-fluorophenyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 153570845
5-amino-N-(3-chloro-4-fluorophenyl)-3-(5-cyano-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-1-methylpyrazole-4-carboxamide
CID 153570882
5-amino-3-[5-(2-amino-2-oxoethyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 166593085
5-amino-N-(3-chloro-4-fluorophenyl)-1-methyl-3-[(1R,3S)-3-phenylcyclopentyl]pyrazole-4-carboxamide
CID 167844687
5-amino-N-(3-chloro-4-fluorophenyl)-1-methyl-3-[(1R,3R)-3-phenylcyclopentyl]pyrazole-4-carboxamide
CID 167844688
5-amino-N-(3-chloro-4-fluorophenyl)-1-methyl-3-[(1S,3R)-3-phenylcyclopentyl]pyrazole-4-carboxamide
CID 167844690

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide (CID 151437289) is 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide is Cn1nc(C2CCC(c3ccccc3)C2)c(C(=O)Nc2ccc(F)c(C#N)c2)c1N.
What is the InChIKey of 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide?
The InChIKey is PDTSGULTKPCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-29-22(26)20(23(30)27-18-9-10-19(24)17(12-18)13-25)21(28-29)16-8-7-15(11-16)14-5-3-2-4-6-14/h2-6,9-10,12,15-16H,7-8,11,26H2,1H3,(H,27,30).
What are the key properties of 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide?
5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyano-4-fluorophenyl)-1-methyl-3-(3-phenylcyclopentyl)pyrazole-4-carboxamide is sourced from PubChem (CID 151437289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).