N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide

C15H15N3O2 — CID 103121264

IUPACN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(C)n2)cc1C#CCO
InChIInChI=1S/C15H15N3O2/c1-11-5-6-13(10-12(11)4-3-9-19)16-15(20)14-7-8-18(2)17-14/h5-8,10,19H,9H2,1-2H3,(H,16,20)
InChIKeyYEJDXYHEKPCPIV-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.32
Rot. Bonds2

About N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide

N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103121264) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
PubChem CID103121264
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(C)n2)cc1C#CCO
InChIInChI=1S/C15H15N3O2/c1-11-5-6-13(10-12(11)4-3-9-19)16-15(20)14-7-8-18(2)17-14/h5-8,10,19H,9H2,1-2H3,(H,16,20)
InChIKeyYEJDXYHEKPCPIV-UHFFFAOYSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 63334167
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide
CID 63333811
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121262
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
CID 63334015
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide (CID 103121264) is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccn(C)n2)cc1C#CCO.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is YEJDXYHEKPCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-5-6-13(10-12(11)4-3-9-19)16-15(20)14-7-8-18(2)17-14/h5-8,10,19H,9H2,1-2H3,(H,16,20).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.32, 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)-4-methylphenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103121264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).