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

C14H23N3O — CID 20950838

IUPACN-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H23N3O/c1-10-13(11(2)17-16-10)9-14(18)15-12-7-5-3-4-6-8-12/h12H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCSGLFQUBGJSBHD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.41
Rot. Bonds3

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

N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 20950838) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID20950838
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H23N3O/c1-10-13(11(2)17-16-10)9-14(18)15-12-7-5-3-4-6-8-12/h12H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCSGLFQUBGJSBHD-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
CID 119044630
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 110695247
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
CID 112732619
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335603
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 136534933
1-(4-cyclohexylpiperazin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 74238007
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 110717086

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 20950838) is N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is CSGLFQUBGJSBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-13(11(2)17-16-10)9-14(18)15-12-7-5-3-4-6-8-12/h12H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 20950838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).