5-tert-butyl-1-propan-2-ylpyrazol-4-amine

C10H19N3 — CID 105439735

IUPAC5-tert-butyl-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1ncc(N)c1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-7(2)13-9(10(3,4)5)8(11)6-12-13/h6-7H,11H2,1-5H3
InChIKeyNXPCVDXQYBVKCD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.34
Rot. Bonds1

About 5-tert-butyl-1-propan-2-ylpyrazol-4-amine

5-tert-butyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 105439735) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-tert-butyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-propan-2-ylpyrazol-4-amine
PubChem CID105439735
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-tert-butyl-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1ncc(N)c1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-7(2)13-9(10(3,4)5)8(11)6-12-13/h6-7H,11H2,1-5H3
InChIKeyNXPCVDXQYBVKCD-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-di(propan-2-yl)pyrazol-4-amine
CID 66442434
5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole
CID 168841686
benzene-1,2-diamine;1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid
CID 159346773
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
CID 119054332
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
CID 114865658
1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 105477117
4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 115069507
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
CID 114633735
methyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219177
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol
CID 58980370

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-tert-butyl-1-propan-2-ylpyrazol-4-amine (CID 105439735) is 5-tert-butyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-propan-2-ylpyrazol-4-amine is CC(C)n1ncc(N)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is NXPCVDXQYBVKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)13-9(10(3,4)5)8(11)6-12-13/h6-7H,11H2,1-5H3.
What are the key properties of 5-tert-butyl-1-propan-2-ylpyrazol-4-amine?
5-tert-butyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 105439735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).