(2-propan-2-ylpyrazol-3-yl)methanamine

C7H13N3 — CID 23005976

IUPAC(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)n1nccc1CN
InChIInChI=1S/C7H13N3/c1-6(2)10-7(5-8)3-4-9-10/h3-4,6H,5,8H2,1-2H3
InChIKeyNUVNGCYOZPTKQS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds2

About (2-propan-2-ylpyrazol-3-yl)methanamine

(2-propan-2-ylpyrazol-3-yl)methanamine (PubChem CID 23005976) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (2-propan-2-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-ylpyrazol-3-yl)methanamine
PubChem CID23005976
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)n1nccc1CN
InChIInChI=1S/C7H13N3/c1-6(2)10-7(5-8)3-4-9-10/h3-4,6H,5,8H2,1-2H3
InChIKeyNUVNGCYOZPTKQS-UHFFFAOYSA-N
XLogP0.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylpyrazol-3-yl)methanamine?
The IUPAC name of (2-propan-2-ylpyrazol-3-yl)methanamine (CID 23005976) is (2-propan-2-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-propan-2-ylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-propan-2-ylpyrazol-3-yl)methanamine is CC(C)n1nccc1CN.
What is the InChIKey of (2-propan-2-ylpyrazol-3-yl)methanamine?
The InChIKey is NUVNGCYOZPTKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)10-7(5-8)3-4-9-10/h3-4,6H,5,8H2,1-2H3.
What are the key properties of (2-propan-2-ylpyrazol-3-yl)methanamine?
(2-propan-2-ylpyrazol-3-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 23005976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).