3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide

C17H23N3O2 — CID 42759703

IUPAC3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(C)C)n(C)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-12(2)9-10-18-17(21)16-11-15(19-20(16)3)13-5-7-14(22-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)
InChIKeyDWYDQBCXBJTYOE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.87
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide (PubChem CID 42759703) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
PubChem CID42759703
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(C)C)n(C)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-12(2)9-10-18-17(21)16-11-15(19-20(16)3)13-5-7-14(22-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)
InChIKeyDWYDQBCXBJTYOE-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide (CID 42759703) is 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCC(C)C)n(C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
The InChIKey is DWYDQBCXBJTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)9-10-18-17(21)16-11-15(19-20(16)3)13-5-7-14(22-4)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,18,21).
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42759703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).