N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide

C25H26N4O2 — CID 46540299

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H26N4O2/c30-24(26-20-13-15-28(16-14-20)25(31)19-11-12-19)22-17-29(21-9-5-2-6-10-21)27-23(22)18-7-3-1-4-8-18/h1-10,17,19-20H,11-16H2,(H,26,30)
InChIKeyZLBAVBRJDQBPDL-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 46540299) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID46540299
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H26N4O2/c30-24(26-20-13-15-28(16-14-20)25(31)19-11-12-19)22-17-29(21-9-5-2-6-10-21)27-23(22)18-7-3-1-4-8-18/h1-10,17,19-20H,11-16H2,(H,26,30)
InChIKeyZLBAVBRJDQBPDL-UHFFFAOYSA-N
XLogP3.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
CID 32541952
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 17430545
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 55966717
3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 60513846
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide (CID 46540299) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is ZLBAVBRJDQBPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(26-20-13-15-28(16-14-20)25(31)19-11-12-19)22-17-29(21-9-5-2-6-10-21)27-23(22)18-7-3-1-4-8-18/h1-10,17,19-20H,11-16H2,(H,26,30).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 46540299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).