4-(1-methylpyrazol-4-yl)butan-2-amine

C8H15N3 — CID 62127805

IUPAC4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCC(N)CCc1cnn(C)c1
InChIInChI=1S/C8H15N3/c1-7(9)3-4-8-5-10-11(2)6-8/h5-7H,3-4,9H2,1-2H3
InChIKeyIFSQYDQAFGIANM-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.70
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)butan-2-amine

4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 62127805) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID62127805
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCC(N)CCc1cnn(C)c1
InChIInChI=1S/C8H15N3/c1-7(9)3-4-8-5-10-11(2)6-8/h5-7H,3-4,9H2,1-2H3
InChIKeyIFSQYDQAFGIANM-UHFFFAOYSA-N
XLogP0.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)butan-2-amine (CID 62127805) is 4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)butan-2-amine is CC(N)CCc1cnn(C)c1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is IFSQYDQAFGIANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(9)3-4-8-5-10-11(2)6-8/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)butan-2-amine?
4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 62127805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).