4-butyl-1-methylpyrazol-5-amine

C8H15N3 — CID 174484684

IUPAC4-butyl-1-methylpyrazol-5-amine
SMILESCCCCc1cnn(C)c1N
InChIInChI=1S/C8H15N3/c1-3-4-5-7-6-10-11(2)8(7)9/h6H,3-5,9H2,1-2H3
InChIKeyJHBJDEBGKKTXPB-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.34
Rot. Bonds3

About 4-butyl-1-methylpyrazol-5-amine

4-butyl-1-methylpyrazol-5-amine (PubChem CID 174484684) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-butyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-butyl-1-methylpyrazol-5-amine
PubChem CID174484684
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-butyl-1-methylpyrazol-5-amine
SMILESCCCCc1cnn(C)c1N
InChIInChI=1S/C8H15N3/c1-3-4-5-7-6-10-11(2)8(7)9/h6H,3-5,9H2,1-2H3
InChIKeyJHBJDEBGKKTXPB-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methylpyrazol-5-amine?
The IUPAC name of 4-butyl-1-methylpyrazol-5-amine (CID 174484684) is 4-butyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-butyl-1-methylpyrazol-5-amine?
The canonical SMILES for 4-butyl-1-methylpyrazol-5-amine is CCCCc1cnn(C)c1N.
What is the InChIKey of 4-butyl-1-methylpyrazol-5-amine?
The InChIKey is JHBJDEBGKKTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-7-6-10-11(2)8(7)9/h6H,3-5,9H2,1-2H3.
What are the key properties of 4-butyl-1-methylpyrazol-5-amine?
4-butyl-1-methylpyrazol-5-amine has a molecular weight of 153.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 174484684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).