3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide

C19H17ClN4O3 — CID 3517537

IUPAC3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H17ClN4O3/c1-2-10-21-19(25)18-12-17(15-8-3-4-9-16(15)20)22-23(18)13-6-5-7-14(11-13)24(26)27/h3-9,11-12H,2,10H2,1H3,(H,21,25)
InChIKeyZIGLYAOIEZVEHZ-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.24
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide

3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide (PubChem CID 3517537) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
PubChem CID3517537
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H17ClN4O3/c1-2-10-21-19(25)18-12-17(15-8-3-4-9-16(15)20)22-23(18)13-6-5-7-14(11-13)24(26)27/h3-9,11-12H,2,10H2,1H3,(H,21,25)
InChIKeyZIGLYAOIEZVEHZ-UHFFFAOYSA-N
XLogP4.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 3453937
3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3977043
1-(3-nitrophenyl)-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762114
3-(2-fluorophenyl)-1-(3-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4310575
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
N-butyl-3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3911082
N-hexyl-1-(3-nitrophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3650127
N-butyl-3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3372471
N-(3,3-diphenylpropyl)-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 42759024
3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4222475
N-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4010497
3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 5041268

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide (CID 3517537) is 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide?
The InChIKey is ZIGLYAOIEZVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-2-10-21-19(25)18-12-17(15-8-3-4-9-16(15)20)22-23(18)13-6-5-7-14(11-13)24(26)27/h3-9,11-12H,2,10H2,1H3,(H,21,25).
What are the key properties of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 3517537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).