1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

C16H23N7O3 — CID 19264941

IUPAC1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)NC3CCN(C)CC3)n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C16H23N7O3/c1-11-15(23(25)26)12(2)22(18-11)10-21-9-6-14(19-21)16(24)17-13-4-7-20(3)8-5-13/h6,9,13H,4-5,7-8,10H2,1-3H3,(H,17,24)
InChIKeyCSAUHQBLDOKBDH-UHFFFAOYSA-N
MW361.41 g/mol
LogP0.93
Rot. Bonds5

About 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 19264941) has the molecular formula C16H23N7O3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID19264941
Molecular FormulaC16H23N7O3
Molecular Weight361.41 g/mol
Exact Mass361.19
IUPAC Name1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)NC3CCN(C)CC3)n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C16H23N7O3/c1-11-15(23(25)26)12(2)22(18-11)10-21-9-6-14(19-21)16(24)17-13-4-7-20(3)8-5-13/h6,9,13H,4-5,7-8,10H2,1-3H3,(H,17,24)
InChIKeyCSAUHQBLDOKBDH-UHFFFAOYSA-N
XLogP0.93
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-butyl-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19265041
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 102534000
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide
CID 19264817
4-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19265048
N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269078
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265061
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265053
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19264997
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
1-[(2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19277504
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19264842
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265051

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (CID 19264941) is 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)NC3CCN(C)CC3)n2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is CSAUHQBLDOKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3/c1-11-15(23(25)26)12(2)22(18-11)10-21-9-6-14(19-21)16(24)17-13-4-7-20(3)8-5-13/h6,9,13H,4-5,7-8,10H2,1-3H3,(H,17,24).
What are the key properties of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).