N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide

C16H21N3O2 — CID 110681625

IUPACN-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C)n(C(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-10(2)19-12(4)9-14(18-19)16(20)17-13-8-11(3)6-7-15(13)21-5/h6-10H,1-5H3,(H,17,20)
InChIKeyWJRYAAKKVGRSOO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.34
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide

N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110681625) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID110681625
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C)n(C(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-10(2)19-12(4)9-14(18-19)16(20)17-13-8-11(3)6-7-15(13)21-5/h6-10H,1-5H3,(H,17,20)
InChIKeyWJRYAAKKVGRSOO-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267595
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642946
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate
CID 110681637
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
CID 107495666
5-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104642218
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 110681625) is N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C)n(C(C)C)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is WJRYAAKKVGRSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)19-12(4)9-14(18-19)16(20)17-13-8-11(3)6-7-15(13)21-5/h6-10H,1-5H3,(H,17,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110681625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).