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

C9H17N3 — CID 23006131

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCn1nc(C)cc1C
InChIInChI=1S/C9H17N3/c1-8-7-9(2)12(11-8)6-4-5-10-3/h7,10H,4-6H2,1-3H3
InChIKeyYXVLUSBODIHODU-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.11
Rot. Bonds4

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

3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine (PubChem CID 23006131) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine
PubChem CID23006131
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCn1nc(C)cc1C
InChIInChI=1S/C9H17N3/c1-8-7-9(2)12(11-8)6-4-5-10-3/h7,10H,4-6H2,1-3H3
InChIKeyYXVLUSBODIHODU-UHFFFAOYSA-N
XLogP1.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.11
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-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine (CID 23006131) is 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine is CNCCCn1nc(C)cc1C.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine?
The InChIKey is YXVLUSBODIHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-7-9(2)12(11-8)6-4-5-10-3/h7,10H,4-6H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 23006131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).