4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine

C13H14BrN3 — CID 117471763

IUPAC4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(C3CC3)c(Br)c2)c1N
InChIInChI=1S/C13H14BrN3/c1-17-13(15)11(7-16-17)9-4-5-10(8-2-3-8)12(14)6-9/h4-8H,2-3,15H2,1H3
InChIKeyBBGRDDQPWIKOOY-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.31
Rot. Bonds2

About 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine

4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117471763) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
PubChem CID117471763
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(C3CC3)c(Br)c2)c1N
InChIInChI=1S/C13H14BrN3/c1-17-13(15)11(7-16-17)9-4-5-10(8-2-3-8)12(14)6-9/h4-8H,2-3,15H2,1H3
InChIKeyBBGRDDQPWIKOOY-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-cyclopropyl-1-methylpyrazol-5-amine
CID 105422536
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine
CID 117330808
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117365796
1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
CID 117358254
4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117448979
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
4-(3-cyclopentyloxyphenyl)-1-methylpyrazol-5-amine
CID 117397015

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine (CID 117471763) is 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(C3CC3)c(Br)c2)c1N.
What is the InChIKey of 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is BBGRDDQPWIKOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-17-13(15)11(7-16-17)9-4-5-10(8-2-3-8)12(14)6-9/h4-8H,2-3,15H2,1H3.
What are the key properties of 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine?
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 292.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117471763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).