N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide

C15H14N6O3 — CID 19337412

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2[nH]ncc2[N+](=O)[O-])nn1Cc1ccccc1
InChIInChI=1S/C15H14N6O3/c1-10-7-13(19-20(10)9-11-5-3-2-4-6-11)17-15(22)14-12(21(23)24)8-16-18-14/h2-8H,9H2,1H3,(H,16,18)(H,17,19,22)
InChIKeyZRRMYHAAEWFDKQ-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.12
Rot. Bonds5

About N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide

N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19337412) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19337412
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2[nH]ncc2[N+](=O)[O-])nn1Cc1ccccc1
InChIInChI=1S/C15H14N6O3/c1-10-7-13(19-20(10)9-11-5-3-2-4-6-11)17-15(22)14-12(21(23)24)8-16-18-14/h2-8H,9H2,1H3,(H,16,18)(H,17,19,22)
InChIKeyZRRMYHAAEWFDKQ-UHFFFAOYSA-N
XLogP2.12
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-benzyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 19337445
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19337548
N-(1-benzyl-5-methylpyrazol-3-yl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19337549
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19338603
N-(1-benzylpyrazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19395735
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19404118
1-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-nitrophenyl)thiourea
CID 19403645
4-bromo-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19345806
3-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498375
N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19337498
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19400019

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide (CID 19337412) is N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide is Cc1cc(NC(=O)c2[nH]ncc2[N+](=O)[O-])nn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is ZRRMYHAAEWFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-10-7-13(19-20(10)9-11-5-3-2-4-6-11)17-15(22)14-12(21(23)24)8-16-18-14/h2-8H,9H2,1H3,(H,16,18)(H,17,19,22).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19337412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).