3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide

C23H26N4O4 — CID 19792809

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide
SMILESCOc1ccc(-c2cc(=O)n(C(=O)NCc3ccccn3)n2C)cc1OC1CCCC1
InChIInChI=1S/C23H26N4O4/c1-26-19(14-22(28)27(26)23(29)25-15-17-7-5-6-12-24-17)16-10-11-20(30-2)21(13-16)31-18-8-3-4-9-18/h5-7,10-14,18H,3-4,8-9,15H2,1-2H3,(H,25,29)
InChIKeyJGOACPIDFWWVHG-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.34
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide (PubChem CID 19792809) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide
PubChem CID19792809
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide
SMILESCOc1ccc(-c2cc(=O)n(C(=O)NCc3ccccn3)n2C)cc1OC1CCCC1
InChIInChI=1S/C23H26N4O4/c1-26-19(14-22(28)27(26)23(29)25-15-17-7-5-6-12-24-17)16-10-11-20(30-2)21(13-16)31-18-8-3-4-9-18/h5-7,10-14,18H,3-4,8-9,15H2,1-2H3,(H,25,29)
InChIKeyJGOACPIDFWWVHG-UHFFFAOYSA-N
XLogP3.34
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide (CID 19792809) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide is COc1ccc(-c2cc(=O)n(C(=O)NCc3ccccn3)n2C)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide?
The InChIKey is JGOACPIDFWWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-26-19(14-22(28)27(26)23(29)25-15-17-7-5-6-12-24-17)16-10-11-20(30-2)21(13-16)31-18-8-3-4-9-18/h5-7,10-14,18H,3-4,8-9,15H2,1-2H3,(H,25,29).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 19792809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).