(5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine

C8H15N3 — CID 23005613

IUPAC(5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1c(CN)cnn1C(C)C
InChIInChI=1S/C8H15N3/c1-6(2)11-7(3)8(4-9)5-10-11/h5-6H,4,9H2,1-3H3
InChIKeyOLUGQFOIGVGQKK-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.23
Rot. Bonds2

About (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine

(5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 23005613) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID23005613
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1c(CN)cnn1C(C)C
InChIInChI=1S/C8H15N3/c1-6(2)11-7(3)8(4-9)5-10-11/h5-6H,4,9H2,1-3H3
InChIKeyOLUGQFOIGVGQKK-UHFFFAOYSA-N
XLogP1.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine (CID 23005613) is (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine is Cc1c(CN)cnn1C(C)C.
What is the InChIKey of (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is OLUGQFOIGVGQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)11-7(3)8(4-9)5-10-11/h5-6H,4,9H2,1-3H3.
What are the key properties of (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine?
(5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 153.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 23005613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).