1-[(4-bromophenyl)methyl]pyrazol-4-amine

C10H10BrN3 — CID 4765195

IUPAC1-[(4-bromophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C10H10BrN3/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2
InChIKeyIQHXEOSXACNBRR-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.28
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]pyrazol-4-amine

1-[(4-bromophenyl)methyl]pyrazol-4-amine (PubChem CID 4765195) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]pyrazol-4-amine
PubChem CID4765195
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name1-[(4-bromophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C10H10BrN3/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2
InChIKeyIQHXEOSXACNBRR-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]pyrazol-4-amine (CID 4765195) is 1-[(4-bromophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]pyrazol-4-amine is Nc1cnn(Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]pyrazol-4-amine?
The InChIKey is IQHXEOSXACNBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]pyrazol-4-amine?
1-[(4-bromophenyl)methyl]pyrazol-4-amine has a molecular weight of 252.12 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 4765195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).