N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C21H23N3O2 — CID 16561064

IUPACN-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1
InChIInChI=1S/C21H23N3O2/c1-4-15(2)16-10-12-17(13-11-16)22-21(25)20-19(26-3)14-24(23-20)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,22,25)
InChIKeyJQBUDDLCMKPHDZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.65
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 16561064) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID16561064
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1
InChIInChI=1S/C21H23N3O2/c1-4-15(2)16-10-12-17(13-11-16)22-21(25)20-19(26-3)14-24(23-20)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,22,25)
InChIKeyJQBUDDLCMKPHDZ-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-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

4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55381026
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992073
4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 46475860
4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94173289
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 46515773

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 16561064) is N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is CCC(C)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is JQBUDDLCMKPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-15(2)16-10-12-17(13-11-16)22-21(25)20-19(26-3)14-24(23-20)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,22,25).
What are the key properties of N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 16561064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).