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

C14H23N3O2 — CID 115362374

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H23N3O2/c1-10-12(11(2)17-16-10)7-13(19)15-8-14(9-18)5-3-4-6-14/h18H,3-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyIZXZKYSZVZOTAL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.24
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (PubChem CID 115362374) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
PubChem CID115362374
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H23N3O2/c1-10-12(11(2)17-16-10)7-13(19)15-8-14(9-18)5-3-4-6-14/h18H,3-9H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyIZXZKYSZVZOTAL-UHFFFAOYSA-N
XLogP1.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130743
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
N-[(1-ethylcyclopentyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113257957
2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163599
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113252802
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66006897
2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid
CID 110204881
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
CID 143816495
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (CID 115362374) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NCC1(CO)CCCC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The InChIKey is IZXZKYSZVZOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-12(11(2)17-16-10)7-13(19)15-8-14(9-18)5-3-4-6-14/h18H,3-9H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 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]acetamide is sourced from PubChem (CID 115362374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).