5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

C19H20ClN3O — CID 11842289

IUPAC5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H20ClN3O/c1-13(2)21-19(24)23-12-17(14-6-4-3-5-7-14)18(22-23)15-8-10-16(20)11-9-15/h3-11,13,17H,12H2,1-2H3,(H,21,24)
InChIKeyGGEOAMUDRYELJS-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.26
Rot. Bonds3

About 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 11842289) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID11842289
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H20ClN3O/c1-13(2)21-19(24)23-12-17(14-6-4-3-5-7-14)18(22-23)15-8-10-16(20)11-9-15/h3-11,13,17H,12H2,1-2H3,(H,21,24)
InChIKeyGGEOAMUDRYELJS-UHFFFAOYSA-N
XLogP4.26
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (CID 11842289) is 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is CC(C)NC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GGEOAMUDRYELJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13(2)21-19(24)23-12-17(14-6-4-3-5-7-14)18(22-23)15-8-10-16(20)11-9-15/h3-11,13,17H,12H2,1-2H3,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-phenyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 11842289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).