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

C16H16Cl2N4 — CID 47030667

IUPAC1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
SMILESCl.Clc1cccc(CNCc2cccnc2-n2cccn2)c1
InChIInChI=1S/C16H15ClN4.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
InChIKeyNAABUTOBBFGSQK-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.63
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride (PubChem CID 47030667) has the molecular formula C16H16Cl2N4 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
PubChem CID47030667
Molecular FormulaC16H16Cl2N4
Molecular Weight335.24 g/mol
Exact Mass334.08
IUPAC Name1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
SMILESCl.Clc1cccc(CNCc2cccnc2-n2cccn2)c1
InChIInChI=1S/C16H15ClN4.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
InChIKeyNAABUTOBBFGSQK-UHFFFAOYSA-N
XLogP3.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride (CID 47030667) is 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride is Cl.Clc1cccc(CNCc2cccnc2-n2cccn2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
The InChIKey is NAABUTOBBFGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4.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-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride?
1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride has a molecular weight of 335.24 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 47030667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).