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

C15H19N3O2 — CID 46171148

IUPAC5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)C)nn2C)c1
InChIInChI=1S/C15H19N3O2/c1-10(2)16-15(19)13-9-14(18(3)17-13)11-6-5-7-12(8-11)20-4/h5-10H,1-4H3,(H,16,19)
InChIKeyHILVCPJUFNWWSI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds4

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

5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 46171148) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID46171148
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)C)nn2C)c1
InChIInChI=1S/C15H19N3O2/c1-10(2)16-15(19)13-9-14(18(3)17-13)11-6-5-7-12(8-11)20-4/h5-10H,1-4H3,(H,16,19)
InChIKeyHILVCPJUFNWWSI-UHFFFAOYSA-N
XLogP2.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336415
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336427
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423
5-(3-methoxyphenyl)-N,1-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110336399
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 46171148) is 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NC(C)C)nn2C)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is HILVCPJUFNWWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)16-15(19)13-9-14(18(3)17-13)11-6-5-7-12(8-11)20-4/h5-10H,1-4H3,(H,16,19).
What are the key properties of 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 46171148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).