1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine

C16H15BrN4 — CID 61402124

IUPAC1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESBrc1ccccc1CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C16H15BrN4/c17-15-6-2-1-4-12(15)8-19-10-14-11-20-21-16(14)13-5-3-7-18-9-13/h1-7,9,11,19H,8,10H2,(H,20,21)
InChIKeyRWSOWTNXZPXWPF-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine

1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 61402124) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID61402124
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESBrc1ccccc1CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C16H15BrN4/c17-15-6-2-1-4-12(15)8-19-10-14-11-20-21-16(14)13-5-3-7-18-9-13/h1-7,9,11,19H,8,10H2,(H,20,21)
InChIKeyRWSOWTNXZPXWPF-UHFFFAOYSA-N
XLogP3.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
3-bromo-2-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 103890740
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 115989344
N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 103838560
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
CID 104587038
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 61043851
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 86808484
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 86808090

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 61402124) is 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine is Brc1ccccc1CNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is RWSOWTNXZPXWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-15-6-2-1-4-12(15)8-19-10-14-11-20-21-16(14)13-5-3-7-18-9-13/h1-7,9,11,19H,8,10H2,(H,20,21).
What are the key properties of 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 343.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61402124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).