[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine

C9H17N3 — CID 60866655

IUPAC[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine
SMILESCc1c(CN)cnn1CC(C)C
InChIInChI=1S/C9H17N3/c1-7(2)6-12-8(3)9(4-10)5-11-12/h5,7H,4,6,10H2,1-3H3
InChIKeyBXBJVBGJKASQCD-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.31
Rot. Bonds3

About [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine

[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine (PubChem CID 60866655) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine
PubChem CID60866655
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine
SMILESCc1c(CN)cnn1CC(C)C
InChIInChI=1S/C9H17N3/c1-7(2)6-12-8(3)9(4-10)5-11-12/h5,7H,4,6,10H2,1-3H3
InChIKeyBXBJVBGJKASQCD-UHFFFAOYSA-N
XLogP1.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine?
The IUPAC name of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine (CID 60866655) is [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine is Cc1c(CN)cnn1CC(C)C.
What is the InChIKey of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine?
The InChIKey is BXBJVBGJKASQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)6-12-8(3)9(4-10)5-11-12/h5,7H,4,6,10H2,1-3H3.
What are the key properties of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine?
[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 60866655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).