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

C11H10N4O5 — CID 19510884

IUPACN-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O5/c1-20-11-9(15(18)19)8(13-14-11)10(17)12-6-4-2-3-5-7(6)16/h2-5,16H,1H3,(H,12,17)(H,13,14)
InChIKeyNJYKAGHJTSEIMI-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.28
Rot. Bonds4

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

N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19510884) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19510884
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC NameN-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O5/c1-20-11-9(15(18)19)8(13-14-11)10(17)12-6-4-2-3-5-7(6)16/h2-5,16H,1H3,(H,12,17)(H,13,14)
InChIKeyNJYKAGHJTSEIMI-UHFFFAOYSA-N
XLogP1.28
TPSA130.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510890
N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510945
3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19510934
3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511042
3-methoxy-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511174
1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19511123
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511121
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxamide
CID 19511102
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510904
3-methoxy-4-nitro-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19510916
3-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511058
3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19511053

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide (CID 19510884) is N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is COc1n[nH]c(C(=O)Nc2ccccc2O)c1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is NJYKAGHJTSEIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-20-11-9(15(18)19)8(13-14-11)10(17)12-6-4-2-3-5-7(6)16/h2-5,16H,1H3,(H,12,17)(H,13,14).
What are the key properties of N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 278.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).