1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide

C22H24N4O2 — CID 142109331

IUPAC1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
SMILESCCCO/N=C\c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C22H24N4O2/c1-4-13-28-23-14-17-9-11-18(12-10-17)19-7-5-6-8-21(19)24-22(27)20-15-26(3)25-16(20)2/h5-12,14-15H,4,13H2,1-3H3,(H,24,27)/b23-14-
InChIKeyYKEPNOFTYHAGKL-UCQKPKSFSA-N
MW376.46 g/mol
LogP4.41
Rot. Bonds7

About 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 142109331) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID142109331
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
SMILESCCCO/N=C\c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C22H24N4O2/c1-4-13-28-23-14-17-9-11-18(12-10-17)19-7-5-6-8-21(19)24-22(27)20-15-26(3)25-16(20)2/h5-12,14-15H,4,13H2,1-3H3,(H,24,27)/b23-14-
InChIKeyYKEPNOFTYHAGKL-UCQKPKSFSA-N
XLogP4.41
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-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

N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 91318500
ethane;N-[2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 142109319
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
5-fluoro-1,3-dimethyl-N-[2-[4-(phenylmethoxyiminomethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 74067736
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
5-fluoro-1,3-dimethyl-N-[2-[4-[(E)-pyridin-2-ylmethoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 23593921
1,3-dimethyl-N-[2-[4-[(E)-C-methyl-N-propoxycarbonimidoyl]phenyl]phenyl]-5-phosphanylpyrazole-4-carboxamide
CID 142109344
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide (CID 142109331) is 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide is CCCO/N=C\c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is YKEPNOFTYHAGKL-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-13-28-23-14-17-9-11-18(12-10-17)19-7-5-6-8-21(19)24-22(27)20-15-26(3)25-16(20)2/h5-12,14-15H,4,13H2,1-3H3,(H,24,27)/b23-14-.
What are the key properties of 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 142109331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).