N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide

C17H27N3O — CID 118793056

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCCn2nccc2C2CC2)CCCCC1
InChIInChI=1S/C17H27N3O/c1-17(9-3-2-4-10-17)16(21)18-11-5-13-20-15(8-12-19-20)14-6-7-14/h8,12,14H,2-7,9-11,13H2,1H3,(H,18,21)
InChIKeyJTNYMGZIPJPIOT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds6

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 118793056) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide
PubChem CID118793056
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCCn2nccc2C2CC2)CCCCC1
InChIInChI=1S/C17H27N3O/c1-17(9-3-2-4-10-17)16(21)18-11-5-13-20-15(8-12-19-20)14-6-7-14/h8,12,14H,2-7,9-11,13H2,1H3,(H,18,21)
InChIKeyJTNYMGZIPJPIOT-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide (CID 118793056) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCCCn2nccc2C2CC2)CCCCC1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is JTNYMGZIPJPIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(9-3-2-4-10-17)16(21)18-11-5-13-20-15(8-12-19-20)14-6-7-14/h8,12,14H,2-7,9-11,13H2,1H3,(H,18,21).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118793056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).