4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine

C9H14BrN3 — CID 155819608

IUPAC4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1nc(C2CC2)c(Br)c1N
InChIInChI=1S/C9H14BrN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3
InChIKeyCEUUYODXWAUPLJ-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.69
Rot. Bonds2

About 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine

4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine (PubChem CID 155819608) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine
PubChem CID155819608
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1nc(C2CC2)c(Br)c1N
InChIInChI=1S/C9H14BrN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3
InChIKeyCEUUYODXWAUPLJ-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
3-Cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine
CID 146201950
3-cyclopropyl-4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 146202013
4-Bromo-3-(3,3-difluorocyclobutyl)-1-ethylpyrazol-5-amine
CID 178936500
4-Bromo-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine
CID 178937094
4-Bromo-3-methyl-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535096
3-Bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838977
3-Bromo-5-methyl-2-(2-methylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838985
3-Bromo-2-(2-methylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838995
3-Cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine
CID 144912798
4-fluoro-1-methyl-3-(2-methylcyclopropyl)-1H-pyrazol-5-amine
CID 165492544
3-(1-cyclopropylethyl)-4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 165499266

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine (CID 155819608) is 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine is CC(C)n1nc(C2CC2)c(Br)c1N.
What is the InChIKey of 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine?
The InChIKey is CEUUYODXWAUPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine?
4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine has a molecular weight of 244.14 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclopropyl-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 155819608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).