4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide

C10H7ClN4O3 — CID 841256

IUPAC4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]ncc1Cl
InChIInChI=1S/C10H7ClN4O3/c11-8-5-12-14-9(8)10(16)13-6-2-1-3-7(4-6)15(17)18/h1-5H,(H,12,14)(H,13,16)
InChIKeyNXBRAMWLCPLPNW-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide

4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 841256) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
PubChem CID841256
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]ncc1Cl
InChIInChI=1S/C10H7ClN4O3/c11-8-5-12-14-9(8)10(16)13-6-2-1-3-7(4-6)15(17)18/h1-5H,(H,12,14)(H,13,16)
InChIKeyNXBRAMWLCPLPNW-UHFFFAOYSA-N
XLogP2.22
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-Phenyl-1H-pyrazole-3-carboxamide
CID 680935
N-(3-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 739812
N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
4-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659602
N-(2-Chloro-4-fluorophenyl)-4-fluoropyrazole-3-carboxamide
CID 16659607
N-(2-Chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 68947659
4-nitro-N-phenyl-1H-pyrazole-3-carboxamide
CID 686224
N-(2-chloro-4-fluorophenyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 122185519
N-(2-chloro-4-fluorophenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 122185522
N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747866
N-(3-nitrophenyl)-1H-pyrazole-3-carboxamide
CID 754442
N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 690194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide (CID 841256) is 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NXBRAMWLCPLPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-8-5-12-14-9(8)10(16)13-6-2-1-3-7(4-6)15(17)18/h1-5H,(H,12,14)(H,13,16).
What are the key properties of 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 266.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-nitrophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 841256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).