1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine

C11H12BrN3 — CID 63276741

IUPAC1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1cccc(Br)c1
InChIInChI=1S/C11H12BrN3/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyYKZSSIUXZXMKJC-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.58
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine

1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 63276741) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID63276741
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1cccc(Br)c1
InChIInChI=1S/C11H12BrN3/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyYKZSSIUXZXMKJC-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
1-[(3-bromophenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79543050
2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 65353287
4-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410344
1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647688
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
3-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63276901
3-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410113
5-amino-1-[(3-bromophenyl)methyl]pyrazole-4-carbonitrile
CID 63276647
ethyl 2-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetate
CID 63276296
2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 79225159
3-bromo-5-methyl-1-[(3-nitrophenyl)methyl]pyrazole
CID 172847975

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine (CID 63276741) is 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is YKZSSIUXZXMKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine?
1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 266.14 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 63276741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).