1-butyl-5-methylpyrazol-3-amine

C8H15N3 — CID 7176030

IUPAC1-butyl-5-methylpyrazol-3-amine
SMILESCCCCn1nc(N)cc1C
InChIInChI=1S/C8H15N3/c1-3-4-5-11-7(2)6-8(9)10-11/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyKQLIWCNXWHHVSE-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.57
Rot. Bonds3

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

1-butyl-5-methylpyrazol-3-amine (PubChem CID 7176030) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-butyl-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-5-methylpyrazol-3-amine
PubChem CID7176030
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-butyl-5-methylpyrazol-3-amine
SMILESCCCCn1nc(N)cc1C
InChIInChI=1S/C8H15N3/c1-3-4-5-11-7(2)6-8(9)10-11/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyKQLIWCNXWHHVSE-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 520721
CID 520721
CID 121018
CID 121018
CID 737200
CID 737200
CID 2768383
CID 2768383
CID 5018373
CID 5018373
CID 2828712
CID 2828712
CID 854933
CID 854933
CID 646883
CID 646883
CID 3050769
CID 3050769
CID 7017747
CID 7017747
CID 3152524
CID 3152524
CID 4571951
CID 4571951

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methylpyrazol-3-amine?
The IUPAC name of 1-butyl-5-methylpyrazol-3-amine (CID 7176030) is 1-butyl-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-butyl-5-methylpyrazol-3-amine?
The canonical SMILES for 1-butyl-5-methylpyrazol-3-amine is CCCCn1nc(N)cc1C.
What is the InChIKey of 1-butyl-5-methylpyrazol-3-amine?
The InChIKey is KQLIWCNXWHHVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-11-7(2)6-8(9)10-11/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 1-butyl-5-methylpyrazol-3-amine?
1-butyl-5-methylpyrazol-3-amine has a molecular weight of 153.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methylpyrazol-3-amine is sourced from PubChem (CID 7176030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).