5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide

C19H20ClN3O — CID 3039559

IUPAC5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C19H20ClN3O/c1-2-3-14-4-10-17(11-5-14)21-19(24)23-13-12-18(22-23)15-6-8-16(20)9-7-15/h4-11H,2-3,12-13H2,1H3,(H,21,24)
InChIKeyNHHDCWNYXBKQIR-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.93
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3039559) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID3039559
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C19H20ClN3O/c1-2-3-14-4-10-17(11-5-14)21-19(24)23-13-12-18(22-23)15-6-8-16(20)9-7-15/h4-11H,2-3,12-13H2,1H3,(H,21,24)
InChIKeyNHHDCWNYXBKQIR-UHFFFAOYSA-N
XLogP4.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 3039559) is 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide is CCCc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NHHDCWNYXBKQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-2-3-14-4-10-17(11-5-14)21-19(24)23-13-12-18(22-23)15-6-8-16(20)9-7-15/h4-11H,2-3,12-13H2,1H3,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-propylphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3039559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).