1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine

C11H12BrN3 — CID 61286252

IUPAC1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1ccn[nH]1
InChIInChI=1S/C11H12BrN3/c12-11-4-2-1-3-9(11)7-13-8-10-5-6-14-15-10/h1-6,13H,7-8H2,(H,14,15)
InChIKeyPVXQESNJTRQBEF-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.46
Rot. Bonds4

About 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 61286252) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID61286252
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1ccn[nH]1
InChIInChI=1S/C11H12BrN3/c12-11-4-2-1-3-9(11)7-13-8-10-5-6-14-15-10/h1-6,13H,7-8H2,(H,14,15)
InChIKeyPVXQESNJTRQBEF-UHFFFAOYSA-N
XLogP2.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 43662344
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 54861685
1-[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119110021
3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
CID 61375619
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
1-naphthalen-2-yl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285657
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61284885
N-[(2-bromophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745385
1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979310
N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 55464118
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 61286252) is 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine is Brc1ccccc1CNCc1ccn[nH]1.
What is the InChIKey of 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is PVXQESNJTRQBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-11-4-2-1-3-9(11)7-13-8-10-5-6-14-15-10/h1-6,13H,7-8H2,(H,14,15).
What are the key properties of 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 266.14 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 61286252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).