N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H23N3O — CID 18129488

IUPACN-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O/c1-10-13(11(2)17(3)16-10)9-14(18)15-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,15,18)
InChIKeyKJOJPDWOILZYCH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.03
Rot. Bonds3

About N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 18129488) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID18129488
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O/c1-10-13(11(2)17(3)16-10)9-14(18)15-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,15,18)
InChIKeyKJOJPDWOILZYCH-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36908003
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031336
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 154774747
cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 134055540
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17452875
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119620409
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546386
1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
CID 105104099
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
1-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105107419
N-[1-(hydroxymethyl)cyclopentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62519330

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 18129488) is N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KJOJPDWOILZYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-13(11(2)17(3)16-10)9-14(18)15-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18129488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).