N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide

C16H17N3O2 — CID 107577952

IUPACN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C#CCO)cc(NC(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C16H17N3O2/c1-11-7-13(5-4-6-20)9-14(8-11)17-16(21)15-10-19(3)18-12(15)2/h7-10,20H,6H2,1-3H3,(H,17,21)
InChIKeyAHKILLYMCVPKGO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.63
Rot. Bonds2

About N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide

N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 107577952) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID107577952
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C#CCO)cc(NC(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C16H17N3O2/c1-11-7-13(5-4-6-20)9-14(8-11)17-16(21)15-10-19(3)18-12(15)2/h7-10,20H,6H2,1-3H3,(H,17,21)
InChIKeyAHKILLYMCVPKGO-UHFFFAOYSA-N
XLogP1.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-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-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 107578036
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107577845
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide
CID 107578107
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1H-pyrrole-2-carboxamide
CID 107577901
N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 102807001
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 107578023
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2,2-dimethylbutanamide
CID 107577873
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 107577952) is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1cc(C#CCO)cc(NC(=O)c2cn(C)nc2C)c1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is AHKILLYMCVPKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-7-13(5-4-6-20)9-14(8-11)17-16(21)15-10-19(3)18-12(15)2/h7-10,20H,6H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 107577952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).