[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine

C11H12BrN3 — CID 115092952

IUPAC[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
SMILESNCc1cc(Cc2cccc(Br)c2)[nH]n1
InChIInChI=1S/C11H12BrN3/c12-9-3-1-2-8(4-9)5-10-6-11(7-13)15-14-10/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyRQKOVWMAGONAKP-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.22
Rot. Bonds3

About [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine

[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine (PubChem CID 115092952) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
PubChem CID115092952
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
SMILESNCc1cc(Cc2cccc(Br)c2)[nH]n1
InChIInChI=1S/C11H12BrN3/c12-9-3-1-2-8(4-9)5-10-6-11(7-13)15-14-10/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyRQKOVWMAGONAKP-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115093092
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
[4-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenyl]methanamine
CID 82568645
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115093018
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
[1-(3-bromophenyl)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]propan-2-yl] formate
CID 174786700
3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089233
[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004444
2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 135966949
4-[2-(3-bromophenyl)ethyl]-2H-triazole
CID 112717442
3-[(3-bromophenyl)methyl]pyridazine
CID 117106529

Frequently Asked Questions

What is the IUPAC name of [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The IUPAC name of [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine (CID 115092952) is [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine is NCc1cc(Cc2cccc(Br)c2)[nH]n1.
What is the InChIKey of [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The InChIKey is RQKOVWMAGONAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-9-3-1-2-8(4-9)5-10-6-11(7-13)15-14-10/h1-4,6H,5,7,13H2,(H,14,15).
What are the key properties of [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine has a molecular weight of 266.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 115092952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).