(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide

C16H28N4O — CID 99836569

IUPAC(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide
SMILESCCN(C(=O)[C@H](C)Nc1cn(C)nc1C)C1CCCCC1
InChIInChI=1S/C16H28N4O/c1-5-20(14-9-7-6-8-10-14)16(21)13(3)17-15-11-19(4)18-12(15)2/h11,13-14,17H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyOOJXDJIJONIQMN-ZDUSSCGKSA-N
MW292.43 g/mol
LogP2.71
Rot. Bonds5

About (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide

(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide (PubChem CID 99836569) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide
PubChem CID99836569
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide
SMILESCCN(C(=O)[C@H](C)Nc1cn(C)nc1C)C1CCCCC1
InChIInChI=1S/C16H28N4O/c1-5-20(14-9-7-6-8-10-14)16(21)13(3)17-15-11-19(4)18-12(15)2/h11,13-14,17H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyOOJXDJIJONIQMN-ZDUSSCGKSA-N
XLogP2.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 46981176
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 46981183
2-[4-(cyclopropylmethyl)-3-isopropyl-5-oxo-1,4-diazepan-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 56868941
N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346285
N-(2-aminoethyl)-2-(5-methyl-1H-pyrazol-1-yl)acetamide
CID 7017753
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 65354973
4-[(1-Cyclopentylpyrazol-3-yl)methyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 71916722
N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide
CID 86802036
(3S)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylpiperazin-2-one
CID 97601890
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide
CID 118747452
N-methyl-2-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetamide
CID 132378598
2-[cyclopentyl(methyl)amino]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 132426762

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide (CID 99836569) is (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide is CCN(C(=O)[C@H](C)Nc1cn(C)nc1C)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide?
The InChIKey is OOJXDJIJONIQMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-20(14-9-7-6-8-10-14)16(21)13(3)17-15-11-19(4)18-12(15)2/h11,13-14,17H,5-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide?
(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide has a molecular weight of 292.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 99836569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).