2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide

C19H19N5O3 — CID 6006005

IUPAC2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C19H19N5O3/c1-12(22-23-18(25)16-8-10-27-13(16)2)14-5-4-6-15(11-14)21-19(26)17-7-9-20-24(17)3/h4-11H,1-3H3,(H,21,26)(H,23,25)/b22-12-
InChIKeyNAHXAAFWBOERBB-UUYOSTAYSA-N
MW365.39 g/mol
LogP2.73
Rot. Bonds5

About 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide

2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide (PubChem CID 6006005) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide
PubChem CID6006005
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C19H19N5O3/c1-12(22-23-18(25)16-8-10-27-13(16)2)14-5-4-6-15(11-14)21-19(26)17-7-9-20-24(17)3/h4-11H,1-3H3,(H,21,26)(H,23,25)/b22-12-
InChIKeyNAHXAAFWBOERBB-UUYOSTAYSA-N
XLogP2.73
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 17338244
N-[(E)-1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 40565628
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 4121616
N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6005646
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
CID 5454909
N-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 40565634
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 3468534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide (CID 6006005) is 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)c2ccnn2C)c1.
What is the InChIKey of 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is NAHXAAFWBOERBB-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12(22-23-18(25)16-8-10-27-13(16)2)14-5-4-6-15(11-14)21-19(26)17-7-9-20-24(17)3/h4-11H,1-3H3,(H,21,26)(H,23,25)/b22-12-.
What are the key properties of 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide?
2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 6006005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).