2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide

C18H24N4O2 — CID 111332045

IUPAC2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1ccn(CCc2ccncc2)n1
InChIInChI=1S/C18H24N4O2/c23-17(14-18(24)8-2-1-3-9-18)20-16-7-13-22(21-16)12-6-15-4-10-19-11-5-15/h4-5,7,10-11,13,24H,1-3,6,8-9,12,14H2,(H,20,21,23)
InChIKeyDOFKMOGXTRRQKA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.54
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide

2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide (PubChem CID 111332045) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
PubChem CID111332045
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1ccn(CCc2ccncc2)n1
InChIInChI=1S/C18H24N4O2/c23-17(14-18(24)8-2-1-3-9-18)20-16-7-13-22(21-16)12-6-15-4-10-19-11-5-15/h4-5,7,10-11,13,24H,1-3,6,8-9,12,14H2,(H,20,21,23)
InChIKeyDOFKMOGXTRRQKA-UHFFFAOYSA-N
XLogP2.54
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
2-(1-hydroxycyclopentyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 111432629
(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750681
(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119871304
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119871314
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 154863475
2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 120799514
(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 154802243
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-2-carboxamide
CID 119871345
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 119871307

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide (CID 111332045) is 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide is O=C(CC1(O)CCCCC1)Nc1ccn(CCc2ccncc2)n1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The InChIKey is DOFKMOGXTRRQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(14-18(24)8-2-1-3-9-18)20-16-7-13-22(21-16)12-6-15-4-10-19-11-5-15/h4-5,7,10-11,13,24H,1-3,6,8-9,12,14H2,(H,20,21,23).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 111332045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).