3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide

C18H29N3O2 — CID 90622084

IUPAC3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C18H29N3O2/c22-18(7-6-15-4-2-1-3-5-15)20-17-12-19-21(14-17)13-16-8-10-23-11-9-16/h12,14-16H,1-11,13H2,(H,20,22)
InChIKeyFHIVWWCTBFDWIW-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.61
Rot. Bonds6

About 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide

3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 90622084) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID90622084
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C18H29N3O2/c22-18(7-6-15-4-2-1-3-5-15)20-17-12-19-21(14-17)13-16-8-10-23-11-9-16/h12,14-16H,1-11,13H2,(H,20,22)
InChIKeyFHIVWWCTBFDWIW-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dithiolan-3-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pentanamide
CID 90622301
2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
CID 90622210
4-(1,3-dioxoisoindol-2-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622248
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 124670470
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide (CID 90622084) is 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide is O=C(CCC1CCCCC1)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is FHIVWWCTBFDWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-18(7-6-15-4-2-1-3-5-15)20-17-12-19-21(14-17)13-16-8-10-23-11-9-16/h12,14-16H,1-11,13H2,(H,20,22).
What are the key properties of 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide?
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 90622084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).