3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide

C29H29N5O2 — CID 60513846

IUPAC3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C29H29N5O2/c1-2-21-8-10-22(11-9-21)27-26(20-34(32-27)25-6-4-3-5-7-25)28(35)31-24-14-18-33(19-15-24)29(36)23-12-16-30-17-13-23/h3-13,16-17,20,24H,2,14-15,18-19H2,1H3,(H,31,35)
InChIKeyKFAGLFGQHFSQFX-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.53
Rot. Bonds6

About 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide

3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 60513846) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID60513846
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C29H29N5O2/c1-2-21-8-10-22(11-9-21)27-26(20-34(32-27)25-6-4-3-5-7-25)28(35)31-24-14-18-33(19-15-24)29(36)23-12-16-30-17-13-23/h3-13,16-17,20,24H,2,14-15,18-19H2,1H3,(H,31,35)
InChIKeyKFAGLFGQHFSQFX-UHFFFAOYSA-N
XLogP4.53
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55548850
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
CID 32541952
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
3-(4-ethylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55965213
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 134000260
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 60513846) is 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide is CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is KFAGLFGQHFSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-2-21-8-10-22(11-9-21)27-26(20-34(32-27)25-6-4-3-5-7-25)28(35)31-24-14-18-33(19-15-24)29(36)23-12-16-30-17-13-23/h3-13,16-17,20,24H,2,14-15,18-19H2,1H3,(H,31,35).
What are the key properties of 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide?
3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 60513846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).