3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide

C19H17ClN4O3 — CID 3453937

IUPAC3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H17ClN4O3/c1-12(2)21-19(25)18-11-17(15-8-3-4-9-16(15)20)22-23(18)13-6-5-7-14(10-13)24(26)27/h3-12H,1-2H3,(H,21,25)
InChIKeyDLMHZUKNQNHXKI-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.24
Rot. Bonds5

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

3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 3453937) 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-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID3453937
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H17ClN4O3/c1-12(2)21-19(25)18-11-17(15-8-3-4-9-16(15)20)22-23(18)13-6-5-7-14(10-13)24(26)27/h3-12H,1-2H3,(H,21,25)
InChIKeyDLMHZUKNQNHXKI-UHFFFAOYSA-N
XLogP4.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-propylpyrazole-5-carboxamide
CID 3517537
3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3977043
1-(3-chlorophenyl)-3-(2-fluorophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 4006120
N-butan-2-yl-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3315348
N-[(2R)-butan-2-yl]-3-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 7417753
3-(2-fluorophenyl)-1-(3-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4310575
N-[(2R)-3-methylbutan-2-yl]-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 7236937
1-(3-chlorophenyl)-N-(2-methylpropyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 4687262
3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4222475
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
CID 7347444
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
3-(3,4-dimethylphenyl)-N-ethoxy-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3893461

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide (CID 3453937) is 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide is CC(C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is DLMHZUKNQNHXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-12(2)21-19(25)18-11-17(15-8-3-4-9-16(15)20)22-23(18)13-6-5-7-14(10-13)24(26)27/h3-12H,1-2H3,(H,21,25).
What are the key properties of 3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.24, 5 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-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 3453937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).