2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide

C26H27N5O — CID 55720962

IUPAC2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C26H27N5O/c32-26(28-21-14-17-30(18-15-21)25-13-7-8-16-27-25)23-19-24(20-9-3-1-4-10-20)31(29-23)22-11-5-2-6-12-22/h1-13,16,21,24H,14-15,17-19H2,(H,28,32)
InChIKeyNIUBIXWKSFKLBF-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.17
Rot. Bonds5

About 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide

2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 55720962) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID55720962
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C26H27N5O/c32-26(28-21-14-17-30(18-15-21)25-13-7-8-16-27-25)23-19-24(20-9-3-1-4-10-20)31(29-23)22-11-5-2-6-12-22/h1-13,16,21,24H,14-15,17-19H2,(H,28,32)
InChIKeyNIUBIXWKSFKLBF-UHFFFAOYSA-N
XLogP4.17
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 46671615
ethyl 4-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 55561596
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
CID 138032228
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60779524
2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038331
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide (CID 55720962) is 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide is O=C(NC1CCN(c2ccccn2)CC1)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is NIUBIXWKSFKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-26(28-21-14-17-30(18-15-21)25-13-7-8-16-27-25)23-19-24(20-9-3-1-4-10-20)31(29-23)22-11-5-2-6-12-22/h1-13,16,21,24H,14-15,17-19H2,(H,28,32).
What are the key properties of 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide?
2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 55720962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).