N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide

C11H11N5O3 — CID 20784983

IUPACN-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]ncc2[N+](=O)[O-])c(N)c1
InChIInChI=1S/C11H11N5O3/c1-6-2-3-8(7(12)4-6)14-11(17)10-9(16(18)19)5-13-15-10/h2-5H,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyDOLBHHZUXSPCTH-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.46
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide

N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 20784983) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID20784983
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]ncc2[N+](=O)[O-])c(N)c1
InChIInChI=1S/C11H11N5O3/c1-6-2-3-8(7(12)4-6)14-11(17)10-9(16(18)19)5-13-15-10/h2-5H,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyDOLBHHZUXSPCTH-UHFFFAOYSA-N
XLogP1.46
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19579486
N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479569
N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 75436462
N-(2-chloro-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 903911
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19338603
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19479748
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621
3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 112557719
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19337412
N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19479717

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 20784983) is N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2[nH]ncc2[N+](=O)[O-])c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is DOLBHHZUXSPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-6-2-3-8(7(12)4-6)14-11(17)10-9(16(18)19)5-13-15-10/h2-5H,12H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20784983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).