3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide

C13H13Cl2N3O — CID 19510029

IUPAC3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-7(2)16-13(19)12-6-11(17-18-12)9-4-3-8(14)5-10(9)15/h3-7H,1-2H3,(H,16,19)(H,17,18)
InChIKeyBGESTPVDRGBJFB-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.52
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 19510029) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID19510029
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-7(2)16-13(19)12-6-11(17-18-12)9-4-3-8(14)5-10(9)15/h3-7H,1-2H3,(H,16,19)(H,17,18)
InChIKeyBGESTPVDRGBJFB-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N'-[(E)-(2,4-dichlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6880896
3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 940183
N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-1,2-dihydro-3-pyridinyl]-4-chlorobenzenecarboxamide
CID 1475595
3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 19509988
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654661
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654663
N-[(2,4-Dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-acetamide
CID 23654666
3-(2,4-dichloro-5-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 24178141
3-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-1H-pyrazole-5-carboxamide
CID 24178178

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 19510029) is 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is BGESTPVDRGBJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7(2)16-13(19)12-6-11(17-18-12)9-4-3-8(14)5-10(9)15/h3-7H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).