(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C20H19N5O — CID 36625724

IUPAC(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCn1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H19N5O/c1-24-13-12-19(23-24)21-20(26)17-14-18(15-8-4-2-5-9-15)25(22-17)16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23,26)/t18-/m0/s1
InChIKeySLPYMGSFGHDSRO-SFHVURJKSA-N
MW345.41 g/mol
LogP3.37
Rot. Bonds4

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

(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 36625724) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID36625724
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCn1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H19N5O/c1-24-13-12-19(23-24)21-20(26)17-14-18(15-8-4-2-5-9-15)25(22-17)16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23,26)/t18-/m0/s1
InChIKeySLPYMGSFGHDSRO-SFHVURJKSA-N
XLogP3.37
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 36625724) is (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is Cn1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n1.
What is the InChIKey of (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is SLPYMGSFGHDSRO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24-13-12-19(23-24)21-20(26)17-14-18(15-8-4-2-5-9-15)25(22-17)16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23,26)/t18-/m0/s1.
What are the key properties of (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 36625724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).