N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide

C10H7ClN4O4 — CID 75436462

IUPACN-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O4/c11-5-2-1-3-6(9(5)16)13-10(17)8-7(15(18)19)4-12-14-8/h1-4,16H,(H,12,14)(H,13,17)
InChIKeyUJWICXLFISMXKJ-UHFFFAOYSA-N
MW282.64 g/mol
LogP1.93
Rot. Bonds3

About N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide

N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 75436462) has the molecular formula C10H7ClN4O4 and a molecular weight of 282.64 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID75436462
Molecular FormulaC10H7ClN4O4
Molecular Weight282.64 g/mol
Exact Mass282.02
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O4/c11-5-2-1-3-6(9(5)16)13-10(17)8-7(15(18)19)4-12-14-8/h1-4,16H,(H,12,14)(H,13,17)
InChIKeyUJWICXLFISMXKJ-UHFFFAOYSA-N
XLogP1.93
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 903911
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479673
N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 20784983
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19410298
1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19479707
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19479748
N-(1-benzylpyrazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19395735
N-(1-methylbenzimidazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 831829
2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19337412
N-(benzylideneamino)-4-nitro-1H-pyrazole-5-carboxamide
CID 909702

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 75436462) is N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(Cl)c1O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is UJWICXLFISMXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O4/c11-5-2-1-3-6(9(5)16)13-10(17)8-7(15(18)19)4-12-14-8/h1-4,16H,(H,12,14)(H,13,17).
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 282.64 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75436462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).