1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide

C18H30N4O2 — CID 96522378

IUPAC1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(C)(C)C
InChIInChI=1S/C18H30N4O2/c1-13(18(2,3)4)20-17(24)14-10-19-22(11-14)12-16(23)21-15-8-6-5-7-9-15/h10-11,13,15H,5-9,12H2,1-4H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyTZALLGDHYIQFIH-ZDUSSCGKSA-N
MW334.46 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide (PubChem CID 96522378) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide
PubChem CID96522378
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(C)(C)C
InChIInChI=1S/C18H30N4O2/c1-13(18(2,3)4)20-17(24)14-10-19-22(11-14)12-16(23)21-15-8-6-5-7-9-15/h10-11,13,15H,5-9,12H2,1-4H3,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyTZALLGDHYIQFIH-ZDUSSCGKSA-N
XLogP2.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
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CID 45831942
N-cyclohexyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53576139
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
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1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
(2S)-2-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)piperazine dihydrochloride
CID 170913622
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CID 91922802
(1S,11R)-2-(1-methylpyrazole-4-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199290
1-[2-(4-Methyl-1H-pyrazol-1-YL)acetyl]-tetradecahydro-1H-1,8-benzodiazacycloundecan-9-one
CID 110201269
5-(1-Ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201427
5-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-1,5-diazacycloundecan-2-one
CID 110201428
5-[2-(4-Methylpyrazol-1-yl)acetyl]-1,5-diazacycloundecan-2-one
CID 110201429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide (CID 96522378) is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide is C[C@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(C)(C)C.
What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide?
The InChIKey is TZALLGDHYIQFIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(18(2,3)4)20-17(24)14-10-19-22(11-14)12-16(23)21-15-8-6-5-7-9-15/h10-11,13,15H,5-9,12H2,1-4H3,(H,20,24)(H,21,23)/t13-/m0/s1.
What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide?
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 96522378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).