1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine

C9H17N3 — CID 123813361

IUPAC1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine
SMILESCCC(C)(C)c1cc(N)nn1C
InChIInChI=1S/C9H17N3/c1-5-9(2,3)7-6-8(10)11-12(7)4/h6H,5H2,1-4H3,(H2,10,11)
InChIKeyLFXRLMVPSSPYCL-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine

1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine (PubChem CID 123813361) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine
PubChem CID123813361
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine
SMILESCCC(C)(C)c1cc(N)nn1C
InChIInChI=1S/C9H17N3/c1-5-9(2,3)7-6-8(10)11-12(7)4/h6H,5H2,1-4H3,(H2,10,11)
InChIKeyLFXRLMVPSSPYCL-UHFFFAOYSA-N
XLogP1.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
CID 129092914
5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole
CID 170573347
5-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 117217177
5-(2-aminoethyl)-1-methylpyrazol-3-amine
CID 83864147
1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine
CID 117217176
5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
CID 135170466
5-fluoro-1-methylpyrazol-3-amine
CID 130658396
5-methoxy-1-methylpyrazol-3-amine
CID 55284551
1-propylpyrazole-3,5-diamine
CID 61265522
5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine
CID 142435449
2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid
CID 83831191
1-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole
CID 143445836

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine?
The IUPAC name of 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine (CID 123813361) is 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine is CCC(C)(C)c1cc(N)nn1C.
What is the InChIKey of 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine?
The InChIKey is LFXRLMVPSSPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-9(2,3)7-6-8(10)11-12(7)4/h6H,5H2,1-4H3,(H2,10,11).
What are the key properties of 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine?
1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 123813361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).