(3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C21H18N4O2 — CID 51962645

IUPAC(3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18N4O2/c26-20-11-12-22-14-18(20)23-21(27)17-13-19(15-7-3-1-4-8-15)25(24-17)16-9-5-2-6-10-16/h1-12,14,19H,13H2,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyVJJPOCOLMNQYET-IBGZPJMESA-N
MW358.40 g/mol
LogP3.32
Rot. Bonds4

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

(3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 51962645) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID51962645
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18N4O2/c26-20-11-12-22-14-18(20)23-21(27)17-13-19(15-7-3-1-4-8-15)25(24-17)16-9-5-2-6-10-16/h1-12,14,19H,13H2,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyVJJPOCOLMNQYET-IBGZPJMESA-N
XLogP3.32
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 51962645) is (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is O=C(Nc1c[nH]ccc1=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is VJJPOCOLMNQYET-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-11-12-22-14-18(20)23-21(27)17-13-19(15-7-3-1-4-8-15)25(24-17)16-9-5-2-6-10-16/h1-12,14,19H,13H2,(H,22,26)(H,23,27)/t19-/m0/s1.
What are the key properties of (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
(3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-oxo-1H-pyridin-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 51962645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).