1-(2-bromophenyl)-4-methylpyrazol-3-amine

C10H10BrN3 — CID 62677549

IUPAC1-(2-bromophenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ccccc2Br)nc1N
InChIInChI=1S/C10H10BrN3/c1-7-6-14(13-10(7)12)9-5-3-2-4-8(9)11/h2-6H,1H3,(H2,12,13)
InChIKeyWPURAQQIBIGEAC-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.53
Rot. Bonds1

About 1-(2-bromophenyl)-4-methylpyrazol-3-amine

1-(2-bromophenyl)-4-methylpyrazol-3-amine (PubChem CID 62677549) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-methylpyrazol-3-amine
PubChem CID62677549
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name1-(2-bromophenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ccccc2Br)nc1N
InChIInChI=1S/C10H10BrN3/c1-7-6-14(13-10(7)12)9-5-3-2-4-8(9)11/h2-6H,1H3,(H2,12,13)
InChIKeyWPURAQQIBIGEAC-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(2-bromophenyl)-4-methylpyrazol-3-amine (CID 62677549) is 1-(2-bromophenyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-bromophenyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-bromophenyl)-4-methylpyrazol-3-amine is Cc1cn(-c2ccccc2Br)nc1N.
What is the InChIKey of 1-(2-bromophenyl)-4-methylpyrazol-3-amine?
The InChIKey is WPURAQQIBIGEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-6-14(13-10(7)12)9-5-3-2-4-8(9)11/h2-6H,1H3,(H2,12,13).
What are the key properties of 1-(2-bromophenyl)-4-methylpyrazol-3-amine?
1-(2-bromophenyl)-4-methylpyrazol-3-amine has a molecular weight of 252.12 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 62677549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).