1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide

C17H19N5O4 — CID 1223865

IUPAC1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C17H19N5O4/c1-20-11-14(22(25)26)15(19-20)16(23)18-13-7-5-12(6-8-13)17(24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,23)
InChIKeyZQVJTQIHOIPZGN-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.21
Rot. Bonds4

About 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide

1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide (PubChem CID 1223865) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
PubChem CID1223865
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C17H19N5O4/c1-20-11-14(22(25)26)15(19-20)16(23)18-13-7-5-12(6-8-13)17(24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,23)
InChIKeyZQVJTQIHOIPZGN-UHFFFAOYSA-N
XLogP2.21
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
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'}

Analyze 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-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

1-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)-1,2,3,4-tetrahydroquinoline
CID 544950
N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 677126
1-methyl-N-(2-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 920251
N-(3,4-dimethylphenyl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084302
2-methyl-4-nitro-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 712435
N-(3,4-dimethylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747514
N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747520
1-methyl-4-nitro-N-phenyl-1H-pyrazole-5-carboxamide
CID 839983
1-methyl-4-{[(E)-(2-nitrophenyl)methylidene]amino}-1H-pyrazole-5-carboxamide
CID 1915318
N-(4-acetylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2419909
N-{4-[N-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)ethanehydrazonoyl]phenyl}cyclopentanecarboxamide
CID 5433119
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
CID 842455

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide (CID 1223865) is 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is ZQVJTQIHOIPZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-20-11-14(22(25)26)15(19-20)16(23)18-13-7-5-12(6-8-13)17(24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,23).
What are the key properties of 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 1223865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).