(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide

C22H23N5O — CID 37392411

IUPAC(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NCCCn1cccn1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H23N5O/c28-22(23-13-7-15-26-16-8-14-24-26)20-17-21(18-9-3-1-4-10-18)27(25-20)19-11-5-2-6-12-19/h1-6,8-12,14,16,21H,7,13,15,17H2,(H,23,28)/t21-/m1/s1
InChIKeySDERHMOQDHBVPT-OAQYLSRUSA-N
MW373.46 g/mol
LogP3.40
Rot. Bonds7

About (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide

(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 37392411) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID37392411
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NCCCn1cccn1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H23N5O/c28-22(23-13-7-15-26-16-8-14-24-26)20-17-21(18-9-3-1-4-10-18)27(25-20)19-11-5-2-6-12-19/h1-6,8-12,14,16,21H,7,13,15,17H2,(H,23,28)/t21-/m1/s1
InChIKeySDERHMOQDHBVPT-OAQYLSRUSA-N
XLogP3.40
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]pentanoate
CID 60590935
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36625724
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 97008607
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 56543801
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
(6R)-6-phenyl-N-(3-pyrazol-1-ylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126393
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide
CID 39997388
2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
CID 42888150

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide (CID 37392411) is (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide is O=C(NCCCn1cccn1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is SDERHMOQDHBVPT-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(23-13-7-15-26-16-8-14-24-26)20-17-21(18-9-3-1-4-10-18)27(25-20)19-11-5-2-6-12-19/h1-6,8-12,14,16,21H,7,13,15,17H2,(H,23,28)/t21-/m1/s1.
What are the key properties of (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide?
(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 37392411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).