4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine

C10H10BrN3 — CID 117383094

IUPAC4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1cc(-c2cn[nH]c2N)ccc1Br
InChIInChI=1S/C10H10BrN3/c1-6-4-7(2-3-9(6)11)8-5-13-14-10(8)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyRXNNUVWWKROLTD-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.73
Rot. Bonds1

About 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine

4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117383094) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117383094
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1cc(-c2cn[nH]c2N)ccc1Br
InChIInChI=1S/C10H10BrN3/c1-6-4-7(2-3-9(6)11)8-5-13-14-10(8)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyRXNNUVWWKROLTD-UHFFFAOYSA-N
XLogP2.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine
CID 117475755
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
CID 117360675
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117308131
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazol-5-amine
CID 117490345
4-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117444749

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine (CID 117383094) is 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine is Cc1cc(-c2cn[nH]c2N)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is RXNNUVWWKROLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-6-4-7(2-3-9(6)11)8-5-13-14-10(8)12/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine?
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 252.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117383094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).