N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide

C10H7ClN4O3 — CID 592690

IUPACN-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H7ClN4O3/c11-7-2-1-3-8(4-7)13-10(16)14-6-9(5-12-14)15(17)18/h1-6H,(H,13,16)
InChIKeyIYVCOCCZVIERCP-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.52
Rot. Bonds2

About N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide

N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide (PubChem CID 592690) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide
PubChem CID592690
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC NameN-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H7ClN4O3/c11-7-2-1-3-8(4-7)13-10(16)14-6-9(5-12-14)15(17)18/h1-6H,(H,13,16)
InChIKeyIYVCOCCZVIERCP-UHFFFAOYSA-N
XLogP2.52
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.52
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

1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870
N-(3-chlorophenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2808385
[3-[(4-nitropyrazol-1-yl)methyl]phenyl]carbamic acid
CID 130338861
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
2-(2,4-dichlorophenoxy)-1-(4-nitropyrazol-1-yl)ethanone
CID 877046
1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
CID 19187569
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165
1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 4672772
2-[(3-chlorophenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16778187

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide (CID 592690) is N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide is O=C(Nc1cccc(Cl)c1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide?
The InChIKey is IYVCOCCZVIERCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-7-2-1-3-8(4-7)13-10(16)14-6-9(5-12-14)15(17)18/h1-6H,(H,13,16).
What are the key properties of N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide?
N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide has a molecular weight of 266.64 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-nitropyrazole-1-carboxamide is sourced from PubChem (CID 592690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).