2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide

C22H31N3O3 — CID 42685731

IUPAC2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC2CCCC2)cc1OC
InChIInChI=1S/C22H31N3O3/c1-14(2)11-17-22(23-20(26)12-15-7-5-6-8-15)21(25-24-17)16-9-10-18(27-3)19(13-16)28-4/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyGUQCNCUANUSSRY-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.81
Rot. Bonds8

About 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide

2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 42685731) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
PubChem CID42685731
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC2CCCC2)cc1OC
InChIInChI=1S/C22H31N3O3/c1-14(2)11-17-22(23-20(26)12-15-7-5-6-8-15)21(25-24-17)16-9-10-18(27-3)19(13-16)28-4/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyGUQCNCUANUSSRY-UHFFFAOYSA-N
XLogP4.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42685728
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 42873998
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686759
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
2-cyclopentyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867228
2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide
CID 42686510
N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 42685691
2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 83280532
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide (CID 42685731) is 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide is COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC2CCCC2)cc1OC.
What is the InChIKey of 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is GUQCNCUANUSSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-14(2)11-17-22(23-20(26)12-15-7-5-6-8-15)21(25-24-17)16-9-10-18(27-3)19(13-16)28-4/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42685731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).