1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine

C14H14BrN5 — CID 83222787

IUPAC1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2nn(Cc3cccc(Br)c3)cc2N)cn1
InChIInChI=1S/C14H14BrN5/c1-19-8-11(6-17-19)14-13(16)9-20(18-14)7-10-3-2-4-12(15)5-10/h2-6,8-9H,7,16H2,1H3
InChIKeyREHSLMFJKXZMRS-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.68
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine

1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 83222787) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
PubChem CID83222787
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2nn(Cc3cccc(Br)c3)cc2N)cn1
InChIInChI=1S/C14H14BrN5/c1-19-8-11(6-17-19)14-13(16)9-20(18-14)7-10-3-2-4-12(15)5-10/h2-6,8-9H,7,16H2,1H3
InChIKeyREHSLMFJKXZMRS-UHFFFAOYSA-N
XLogP2.68
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (CID 83222787) is 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is Cn1cc(-c2nn(Cc3cccc(Br)c3)cc2N)cn1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is REHSLMFJKXZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-19-8-11(6-17-19)14-13(16)9-20(18-14)7-10-3-2-4-12(15)5-10/h2-6,8-9H,7,16H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 332.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 83222787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).