N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C25H28N4O2 — CID 46671615

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C25H28N4O2/c30-24(26-20-13-15-28(16-14-20)25(31)19-11-12-19)22-17-23(18-7-3-1-4-8-18)29(27-22)21-9-5-2-6-10-21/h1-10,19-20,23H,11-17H2,(H,26,30)
InChIKeyRRKSIOVKNPFMFZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.51
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 46671615) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID46671615
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C25H28N4O2/c30-24(26-20-13-15-28(16-14-20)25(31)19-11-12-19)22-17-23(18-7-3-1-4-8-18)29(27-22)21-9-5-2-6-10-21/h1-10,19-20,23H,11-17H2,(H,26,30)
InChIKeyRRKSIOVKNPFMFZ-UHFFFAOYSA-N
XLogP3.51
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 55561596
2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide
CID 55720962
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide
CID 39997388
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112814329
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55569344
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 25346048

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 46671615) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is RRKSIOVKNPFMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(26-20-13-15-28(16-14-20)25(31)19-11-12-19)22-17-23(18-7-3-1-4-8-18)29(27-22)21-9-5-2-6-10-21/h1-10,19-20,23H,11-17H2,(H,26,30).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.51, 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]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 46671615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).