1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide

C14H22N4O2 — CID 75416559

IUPAC1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2(NC(C)=O)CCCCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-3-18-10-12(9-15-18)16-13(20)14(17-11(2)19)7-5-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyUUNSHRYBQJDCMM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.68
Rot. Bonds4

About 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide

1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 75416559) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID75416559
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2(NC(C)=O)CCCCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-3-18-10-12(9-15-18)16-13(20)14(17-11(2)19)7-5-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyUUNSHRYBQJDCMM-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide (CID 75416559) is 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide is CCn1cc(NC(=O)C2(NC(C)=O)CCCCC2)cn1.
What is the InChIKey of 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is UUNSHRYBQJDCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-10-12(9-15-18)16-13(20)14(17-11(2)19)7-5-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide?
1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75416559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).