4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide

C14H22N4O2 — CID 19410874

IUPAC4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C2CCCCC2)c(C(=O)NC)n1
InChIInChI=1S/C14H22N4O2/c1-3-18-9-11(12(17-18)14(20)15-2)16-13(19)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyDMDMUUPVRSCELS-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.78
Rot. Bonds4

About 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide

4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 19410874) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID19410874
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C2CCCCC2)c(C(=O)NC)n1
InChIInChI=1S/C14H22N4O2/c1-3-18-9-11(12(17-18)14(20)15-2)16-13(19)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyDMDMUUPVRSCELS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
3-[[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 17024247
(1S,2R,3S,4S)-3-[[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98273768
trans-(1S,2S)-2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 51851333
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40822913
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
(2R,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619006
(2S,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619004
(1S,2S,3R,4S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98293473
(1R,2S,3S,4S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51423416
N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281731
1-ethyl-N-methyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-3-carboxamide
CID 19410718

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide (CID 19410874) is 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)C2CCCCC2)c(C(=O)NC)n1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is DMDMUUPVRSCELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-9-11(12(17-18)14(20)15-2)16-13(19)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide?
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19410874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).