1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide

C17H16N4O — CID 25343900

IUPAC1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccncc1
InChIInChI=1S/C17H16N4O/c1-13(14-7-9-18-10-8-14)20-17(22)15-11-19-21(12-15)16-5-3-2-4-6-16/h2-13H,1H3,(H,20,22)/t13-/m0/s1
InChIKeyUZCFCCUDSLBFTE-ZDUSSCGKSA-N
MW292.34 g/mol
LogP2.76
Rot. Bonds4

About 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide (PubChem CID 25343900) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
PubChem CID25343900
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccncc1
InChIInChI=1S/C17H16N4O/c1-13(14-7-9-18-10-8-14)20-17(22)15-11-19-21(12-15)16-5-3-2-4-6-16/h2-13H,1H3,(H,20,22)/t13-/m0/s1
InChIKeyUZCFCCUDSLBFTE-ZDUSSCGKSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46582044
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55808093
1-(4-nitrophenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 55840739

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide (CID 25343900) is 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide is C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccncc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide?
The InChIKey is UZCFCCUDSLBFTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13(14-7-9-18-10-8-14)20-17(22)15-11-19-21(12-15)16-5-3-2-4-6-16/h2-13H,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide?
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 25343900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).