2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide

C15H25N3O2 — CID 90622077

IUPAC2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
SMILESCCC(CC)C(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C15H25N3O2/c1-3-13(4-2)15(19)17-14-9-16-18(11-14)10-12-5-7-20-8-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyMJTWNYLVPNNJBF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds6

About 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide

2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 90622077) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID90622077
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
SMILESCCC(CC)C(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C15H25N3O2/c1-3-13(4-2)15(19)17-14-9-16-18(11-14)10-12-5-7-20-8-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyMJTWNYLVPNNJBF-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
(2R)-2-acetamido-4-methylsulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 124670488
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
CID 90622210
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 124670470
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide (CID 90622077) is 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide is CCC(CC)C(=O)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is MJTWNYLVPNNJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-13(4-2)15(19)17-14-9-16-18(11-14)10-12-5-7-20-8-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide?
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 279.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 90622077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).