3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide

C16H27N3O — CID 118770524

IUPAC3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
SMILESCC1(C)CC(NC(=O)CCc2cn[nH]c2)CC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-15(2)7-13(8-16(3,4)11-15)19-14(20)6-5-12-9-17-18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyGZTZEPKPYKEJSP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.06
Rot. Bonds4

About 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide

3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide (PubChem CID 118770524) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
PubChem CID118770524
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
SMILESCC1(C)CC(NC(=O)CCc2cn[nH]c2)CC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-15(2)7-13(8-16(3,4)11-15)19-14(20)6-5-12-9-17-18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyGZTZEPKPYKEJSP-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide (CID 118770524) is 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide is CC1(C)CC(NC(=O)CCc2cn[nH]c2)CC(C)(C)C1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The InChIKey is GZTZEPKPYKEJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2)7-13(8-16(3,4)11-15)19-14(20)6-5-12-9-17-18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide is sourced from PubChem (CID 118770524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).