1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide

C21H22FN5O — CID 136578301

IUPAC1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22FN5O/c22-17-1-3-19(4-2-17)27-14-9-20(25-27)21(28)24-18-7-12-26(13-8-18)15-16-5-10-23-11-6-16/h1-6,9-11,14,18H,7-8,12-13,15H2,(H,24,28)
InChIKeyASURVJLVWOABDM-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 136578301) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID136578301
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22FN5O/c22-17-1-3-19(4-2-17)27-14-9-20(25-27)21(28)24-18-7-12-26(13-8-18)15-16-5-10-23-11-6-16/h1-6,9-11,14,18H,7-8,12-13,15H2,(H,24,28)
InChIKeyASURVJLVWOABDM-UHFFFAOYSA-N
XLogP2.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
CID 95137538
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55959686
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51078940
1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
CID 138055821
1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 146201949
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 136526672
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135
3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136579366

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide (CID 136578301) is 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is ASURVJLVWOABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-17-1-3-19(4-2-17)27-14-9-20(25-27)21(28)24-18-7-12-26(13-8-18)15-16-5-10-23-11-6-16/h1-6,9-11,14,18H,7-8,12-13,15H2,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 136578301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).