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

C15H25N3O2 — CID 119044630

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCCC1CO
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)18-17-10)8-15(20)16-14-7-5-3-4-6-12(14)9-19/h12,14,19H,3-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyBKLOTLDCXUZYBI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.63
Rot. Bonds4

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide (PubChem CID 119044630) 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-[2-(hydroxymethyl)cycloheptyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
PubChem CID119044630
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCCC1CO
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)18-17-10)8-15(20)16-14-7-5-3-4-6-12(14)9-19/h12,14,19H,3-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyBKLOTLDCXUZYBI-UHFFFAOYSA-N
XLogP1.63
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064029
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414647
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 91783447
1-(4-cyclohexylpiperazin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 74238007
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362374
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 110695247
2-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103751275
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide
CID 129433190

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide (CID 119044630) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CCCCCC1CO.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide?
The InChIKey is BKLOTLDCXUZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-13(11(2)18-17-10)8-15(20)16-14-7-5-3-4-6-12(14)9-19/h12,14,19H,3-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.63, 4 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-[2-(hydroxymethyl)cycloheptyl]acetamide is sourced from PubChem (CID 119044630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).