N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide

C13H21N3O — CID 46339324

IUPACN-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide
SMILESCC1CCC(NC(=O)CCn2cccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-12(6-4-11)15-13(17)7-10-16-9-2-8-14-16/h2,8-9,11-12H,3-7,10H2,1H3,(H,15,17)
InChIKeyGNVZJNZKIUBNGR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide

N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide (PubChem CID 46339324) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide
PubChem CID46339324
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide
SMILESCC1CCC(NC(=O)CCn2cccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-12(6-4-11)15-13(17)7-10-16-9-2-8-14-16/h2,8-9,11-12H,3-7,10H2,1H3,(H,15,17)
InChIKeyGNVZJNZKIUBNGR-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide (CID 46339324) is N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide is CC1CCC(NC(=O)CCn2cccn2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is GNVZJNZKIUBNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-3-5-12(6-4-11)15-13(17)7-10-16-9-2-8-14-16/h2,8-9,11-12H,3-7,10H2,1H3,(H,15,17).
What are the key properties of N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide?
N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46339324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).