4-butyl-1-methylpyrazol-3-amine

C8H15N3 — CID 141432015

IUPAC4-butyl-1-methylpyrazol-3-amine
SMILESCCCCc1cn(C)nc1N
InChIInChI=1S/C8H15N3/c1-3-4-5-7-6-11(2)10-8(7)9/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeySRBHMYXGBNDXMJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.34
Rot. Bonds3

About 4-butyl-1-methylpyrazol-3-amine

4-butyl-1-methylpyrazol-3-amine (PubChem CID 141432015) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-butyl-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-butyl-1-methylpyrazol-3-amine
PubChem CID141432015
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-butyl-1-methylpyrazol-3-amine
SMILESCCCCc1cn(C)nc1N
InChIInChI=1S/C8H15N3/c1-3-4-5-7-6-11(2)10-8(7)9/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeySRBHMYXGBNDXMJ-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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Related Compounds

4-isopropyl-1-methyl-1H-pyrazol-5-amine
CID 20823874
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
1,4-Dimethyl-1H-pyrazol-3-amine
CID 12847949
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
1-cyclohexyl-4-methyl-1H-pyrazol-3-amine
CID 62678120
1-methyl-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 84107341

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methylpyrazol-3-amine?
The IUPAC name of 4-butyl-1-methylpyrazol-3-amine (CID 141432015) is 4-butyl-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-butyl-1-methylpyrazol-3-amine?
The canonical SMILES for 4-butyl-1-methylpyrazol-3-amine is CCCCc1cn(C)nc1N.
What is the InChIKey of 4-butyl-1-methylpyrazol-3-amine?
The InChIKey is SRBHMYXGBNDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-7-6-11(2)10-8(7)9/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 4-butyl-1-methylpyrazol-3-amine?
4-butyl-1-methylpyrazol-3-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-3-amine is sourced from PubChem (CID 141432015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).