(3-tert-butyl-1-methylpyrazol-5-yl)methanamine

C9H17N3 — CID 66644048

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
SMILESCn1nc(C(C)(C)C)cc1CN
InChIInChI=1S/C9H17N3/c1-9(2,3)8-5-7(6-10)12(4)11-8/h5H,6,10H2,1-4H3
InChIKeyRBUPNPJAMUJKAN-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.18
Rot. Bonds1

About (3-tert-butyl-1-methylpyrazol-5-yl)methanamine

(3-tert-butyl-1-methylpyrazol-5-yl)methanamine (PubChem CID 66644048) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
PubChem CID66644048
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
SMILESCn1nc(C(C)(C)C)cc1CN
InChIInChI=1S/C9H17N3/c1-9(2,3)8-5-7(6-10)12(4)11-8/h5H,6,10H2,1-4H3
InChIKeyRBUPNPJAMUJKAN-UHFFFAOYSA-N
XLogP1.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)methanamine (CID 66644048) is (3-tert-butyl-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl)methanamine is Cn1nc(C(C)(C)C)cc1CN.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl)methanamine?
The InChIKey is RBUPNPJAMUJKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,3)8-5-7(6-10)12(4)11-8/h5H,6,10H2,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl)methanamine?
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 66644048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).