2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide

C17H29N3O2 — CID 111464025

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCC1CCCC1O
InChIInChI=1S/C17H29N3O2/c1-11(2)10-20-13(4)15(12(3)19-20)8-17(22)18-9-14-6-5-7-16(14)21/h11,14,16,21H,5-10H2,1-4H3,(H,18,22)
InChIKeySKOXLIQUPHCBOM-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.98
Rot. Bonds6

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide (PubChem CID 111464025) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
PubChem CID111464025
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCC1CCCC1O
InChIInChI=1S/C17H29N3O2/c1-11(2)10-20-13(4)15(12(3)19-20)8-17(22)18-9-14-6-5-7-16(14)21/h11,14,16,21H,5-10H2,1-4H3,(H,18,22)
InChIKeySKOXLIQUPHCBOM-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 46536145
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445392
4-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 75429285
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31592780
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536142
N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119497602
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513068
N-(2-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 32559945
N-(4-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46598351
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929090
N-[1-(aminomethyl)cyclopentyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119566924
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]thiourea
CID 11936484

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide (CID 111464025) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1CCCC1O.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide?
The InChIKey is SKOXLIQUPHCBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11(2)10-20-13(4)15(12(3)19-20)8-17(22)18-9-14-6-5-7-16(14)21/h11,14,16,21H,5-10H2,1-4H3,(H,18,22).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide is sourced from PubChem (CID 111464025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).