3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine

C16H29N3 — CID 79225067

IUPAC3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nn(C2CCCCCC2)c1C
InChIInChI=1S/C16H29N3/c1-13-16(11-8-12-17-3)14(2)19(18-13)15-9-6-4-5-7-10-15/h15,17H,4-12H2,1-3H3
InChIKeyZATBIGVITHKGTC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.55
Rot. Bonds5

About 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine

3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine (PubChem CID 79225067) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine
PubChem CID79225067
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nn(C2CCCCCC2)c1C
InChIInChI=1S/C16H29N3/c1-13-16(11-8-12-17-3)14(2)19(18-13)15-9-6-4-5-7-10-15/h15,17H,4-12H2,1-3H3
InChIKeyZATBIGVITHKGTC-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.55
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 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine (CID 79225067) is 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine is CNCCCc1c(C)nn(C2CCCCCC2)c1C.
What is the InChIKey of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine?
The InChIKey is ZATBIGVITHKGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13-16(11-8-12-17-3)14(2)19(18-13)15-9-6-4-5-7-10-15/h15,17H,4-12H2,1-3H3.
What are the key properties of 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine?
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 79225067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).