2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone

C16H19N3O — CID 64783341

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)c1cccnc1
InChIInChI=1S/C16H19N3O/c20-16(13-5-4-9-17-12-13)11-14-8-10-19(18-14)15-6-2-1-3-7-15/h4-5,8-10,12,15H,1-3,6-7,11H2
InChIKeyANJJGIUGSOSKAW-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.21
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone

2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone (PubChem CID 64783341) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
PubChem CID64783341
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)c1cccnc1
InChIInChI=1S/C16H19N3O/c20-16(13-5-4-9-17-12-13)11-14-8-10-19(18-14)15-6-2-1-3-7-15/h4-5,8-10,12,15H,1-3,6-7,11H2
InChIKeyANJJGIUGSOSKAW-UHFFFAOYSA-N
XLogP3.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
CID 64783174
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64772423
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(4-amino-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116581952
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
N-(cyclodecapentaenyl)-2-(1-cycloheptylpyrazol-3-yl)acetamide
CID 177025916
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 114975038

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone (CID 64783341) is 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone is O=C(Cc1ccn(C2CCCCC2)n1)c1cccnc1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone?
The InChIKey is ANJJGIUGSOSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(13-5-4-9-17-12-13)11-14-8-10-19(18-14)15-6-2-1-3-7-15/h4-5,8-10,12,15H,1-3,6-7,11H2.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone?
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone has a molecular weight of 269.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 64783341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).