4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide

C15H25N3O2 — CID 99825420

IUPAC4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)Nc2cnn(CCOC)c2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-12-4-6-13(7-5-12)15(19)17-14-10-16-18(11-14)8-9-20-2/h10-13H,3-9H2,1-2H3,(H,17,19)
InChIKeyPIAIKAJSJLVLLA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds6

About 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide

4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 99825420) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID99825420
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)Nc2cnn(CCOC)c2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-12-4-6-13(7-5-12)15(19)17-14-10-16-18(11-14)8-9-20-2/h10-13H,3-9H2,1-2H3,(H,17,19)
InChIKeyPIAIKAJSJLVLLA-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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide (CID 99825420) is 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)Nc2cnn(CCOC)c2)CC1.
What is the InChIKey of 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is PIAIKAJSJLVLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-12-4-6-13(7-5-12)15(19)17-14-10-16-18(11-14)8-9-20-2/h10-13H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide 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 4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 99825420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).