1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride

C16H16BrClN4 — CID 47030672

IUPAC1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
SMILESBrc1cccc(CNCc2cccnc2-n2cccn2)c1.Cl
InChIInChI=1S/C16H15BrN4.ClH/c17-15-6-1-4-13(10-15)11-18-12-14-5-2-7-19-16(14)21-9-3-8-20-21;/h1-10,18H,11-12H2;1H
InChIKeyWKFZDQWOUXDAJI-UHFFFAOYSA-N
MW379.69 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride

1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride (PubChem CID 47030672) has the molecular formula C16H16BrClN4 and a molecular weight of 379.69 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
PubChem CID47030672
Molecular FormulaC16H16BrClN4
Molecular Weight379.69 g/mol
Exact Mass378.02
IUPAC Name1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
SMILESBrc1cccc(CNCc2cccnc2-n2cccn2)c1.Cl
InChIInChI=1S/C16H15BrN4.ClH/c17-15-6-1-4-13(10-15)11-18-12-14-5-2-7-19-16(14)21-9-3-8-20-21;/h1-10,18H,11-12H2;1H
InChIKeyWKFZDQWOUXDAJI-UHFFFAOYSA-N
XLogP3.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 47030667
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030673
1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 47052375
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 119106720
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]phenol
CID 47067947
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 122137979
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 46344511
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62823366

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride (CID 47030672) is 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride is Brc1cccc(CNCc2cccnc2-n2cccn2)c1.Cl.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
The InChIKey is WKFZDQWOUXDAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4.ClH/c17-15-6-1-4-13(10-15)11-18-12-14-5-2-7-19-16(14)21-9-3-8-20-21;/h1-10,18H,11-12H2;1H.
What are the key properties of 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride has a molecular weight of 379.69 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 47030672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).