2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide

C15H25N3O2 — CID 131894140

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)CC1(CO)CCCC1
InChIInChI=1S/C15H25N3O2/c1-11-13(12(2)17-16-11)8-14(20)18(3)9-15(10-19)6-4-5-7-15/h19H,4-10H2,1-3H3,(H,16,17)
InChIKeyIVJYCUBKEBHIEW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.58
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide (PubChem CID 131894140) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
PubChem CID131894140
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)CC1(CO)CCCC1
InChIInChI=1S/C15H25N3O2/c1-11-13(12(2)17-16-11)8-14(20)18(3)9-15(10-19)6-4-5-7-15/h19H,4-10H2,1-3H3,(H,16,17)
InChIKeyIVJYCUBKEBHIEW-UHFFFAOYSA-N
XLogP1.58
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide (CID 131894140) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide is Cc1n[nH]c(C)c1CC(=O)N(C)CC1(CO)CCCC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
The InChIKey is IVJYCUBKEBHIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-13(12(2)17-16-11)8-14(20)18(3)9-15(10-19)6-4-5-7-15/h19H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide has a molecular weight of 279.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide is sourced from PubChem (CID 131894140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).