2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide

C16H27N5O2 — CID 47093320

IUPAC2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
SMILESCc1cc(NC(=O)NCCNC(=O)CC2CCCCC2)n(C)n1
InChIInChI=1S/C16H27N5O2/c1-12-10-14(21(2)20-12)19-16(23)18-9-8-17-15(22)11-13-6-4-3-5-7-13/h10,13H,3-9,11H2,1-2H3,(H,17,22)(H2,18,19,23)
InChIKeyMCQQXANLKMDMNV-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.94
Rot. Bonds6

About 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide

2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide (PubChem CID 47093320) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
PubChem CID47093320
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
SMILESCc1cc(NC(=O)NCCNC(=O)CC2CCCCC2)n(C)n1
InChIInChI=1S/C16H27N5O2/c1-12-10-14(21(2)20-12)19-16(23)18-9-8-17-15(22)11-13-6-4-3-5-7-13/h10,13H,3-9,11H2,1-2H3,(H,17,22)(H2,18,19,23)
InChIKeyMCQQXANLKMDMNV-UHFFFAOYSA-N
XLogP1.94
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
2-cyclohexyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119113
2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36803387
1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
CID 47198130
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea
CID 51080593
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 51287128
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide (CID 47093320) is 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide is Cc1cc(NC(=O)NCCNC(=O)CC2CCCCC2)n(C)n1.
What is the InChIKey of 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
The InChIKey is MCQQXANLKMDMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12-10-14(21(2)20-12)19-16(23)18-9-8-17-15(22)11-13-6-4-3-5-7-13/h10,13H,3-9,11H2,1-2H3,(H,17,22)(H2,18,19,23).
What are the key properties of 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide?
2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 47093320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).