3-tert-butyl-1-methylpyrazol-5-amine

C8H15N3 — CID 2735287

IUPAC3-tert-butyl-1-methylpyrazol-5-amine
SMILESCn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-7(9)11(4)10-6/h5H,9H2,1-4H3
InChIKeyXSCDSAMVQLKDNI-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.30
Rot. Bonds

About 3-tert-butyl-1-methylpyrazol-5-amine

3-tert-butyl-1-methylpyrazol-5-amine (PubChem CID 2735287) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-methylpyrazol-5-amine
PubChem CID2735287
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-tert-butyl-1-methylpyrazol-5-amine
SMILESCn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-7(9)11(4)10-6/h5H,9H2,1-4H3
InChIKeyXSCDSAMVQLKDNI-UHFFFAOYSA-N
XLogP1.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.30
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-amine?
The IUPAC name of 3-tert-butyl-1-methylpyrazol-5-amine (CID 2735287) is 3-tert-butyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-methylpyrazol-5-amine is Cn1nc(C(C)(C)C)cc1N.
What is the InChIKey of 3-tert-butyl-1-methylpyrazol-5-amine?
The InChIKey is XSCDSAMVQLKDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)6-5-7(9)11(4)10-6/h5H,9H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methylpyrazol-5-amine?
3-tert-butyl-1-methylpyrazol-5-amine has a molecular weight of 153.23 g/mol, XLogP of 1.30, 0 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-amine is sourced from PubChem (CID 2735287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).