N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide

C18H23N5O2 — CID 17338244

IUPACN-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)C(C)(C)C)c1cccc(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C18H23N5O2/c1-12(21-22-17(25)18(2,3)4)13-7-6-8-14(11-13)20-16(24)15-9-10-19-23(15)5/h6-11H,1-5H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyVVQRTODYRMKQCC-CIAFOILYSA-N
MW341.42 g/mol
LogP2.56
Rot. Bonds4

About N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide

N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 17338244) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID17338244
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)C(C)(C)C)c1cccc(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C18H23N5O2/c1-12(21-22-17(25)18(2,3)4)13-7-6-8-14(11-13)20-16(24)15-9-10-19-23(15)5/h6-11H,1-5H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyVVQRTODYRMKQCC-CIAFOILYSA-N
XLogP2.56
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-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

2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide
CID 6006005
N-[(E)-1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 40565628
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713
methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 3468534
N-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 40565634
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 6114072
N-[4-[(Z)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 6089356
5-[(4-bromopyrazol-1-yl)methyl]-N-[(E)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 5431105
N-[4-[N-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 1227818
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide (CID 17338244) is N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide is C/C(=N\NC(=O)C(C)(C)C)c1cccc(NC(=O)c2ccnn2C)c1.
What is the InChIKey of N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VVQRTODYRMKQCC-CIAFOILYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(21-22-17(25)18(2,3)4)13-7-6-8-14(11-13)20-16(24)15-9-10-19-23(15)5/h6-11H,1-5H3,(H,20,24)(H,22,25)/b21-12+.
What are the key properties of N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide?
N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17338244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).