3-butyl-1-(2-methylpropyl)pyrazol-5-amine

C11H21N3 — CID 174633876

IUPAC3-butyl-1-(2-methylpropyl)pyrazol-5-amine
SMILESCCCCc1cc(N)n(CC(C)C)n1
InChIInChI=1S/C11H21N3/c1-4-5-6-10-7-11(12)14(13-10)8-9(2)3/h7,9H,4-6,8,12H2,1-3H3
InChIKeyCWMGHGNEYGOCBB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds5

About 3-butyl-1-(2-methylpropyl)pyrazol-5-amine

3-butyl-1-(2-methylpropyl)pyrazol-5-amine (PubChem CID 174633876) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-butyl-1-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-butyl-1-(2-methylpropyl)pyrazol-5-amine
PubChem CID174633876
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-butyl-1-(2-methylpropyl)pyrazol-5-amine
SMILESCCCCc1cc(N)n(CC(C)C)n1
InChIInChI=1S/C11H21N3/c1-4-5-6-10-7-11(12)14(13-10)8-9(2)3/h7,9H,4-6,8,12H2,1-3H3
InChIKeyCWMGHGNEYGOCBB-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-1-(3-methoxypropyl)pyrazol-5-amine
CID 174636932
3-(2-methylphenyl)-1-(2-methylpropyl)pyrazol-5-amine
CID 43381407
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168926
ethyl 3-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]-2-methylpropanoate
CID 143176977
3-butyl-1-pyridin-3-ylpyrazol-5-amine
CID 174520320
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
CID 51051927
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214181
5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 178050223
4-butyl-1-(3-methylbutyl)imidazole
CID 164535740

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-butyl-1-(2-methylpropyl)pyrazol-5-amine (CID 174633876) is 3-butyl-1-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-butyl-1-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-butyl-1-(2-methylpropyl)pyrazol-5-amine is CCCCc1cc(N)n(CC(C)C)n1.
What is the InChIKey of 3-butyl-1-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is CWMGHGNEYGOCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-10-7-11(12)14(13-10)8-9(2)3/h7,9H,4-6,8,12H2,1-3H3.
What are the key properties of 3-butyl-1-(2-methylpropyl)pyrazol-5-amine?
3-butyl-1-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 174633876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).