N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride

C16H15Cl2FN4 — CID 47030673

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CNCc1cccnc1-n1cccn1
InChIInChI=1S/C16H14ClFN4.ClH/c17-14-5-1-6-15(18)13(14)11-19-10-12-4-2-7-20-16(12)22-9-3-8-21-22;/h1-9,19H,10-11H2;1H
InChIKeyVDPFWQJFSYBIOX-UHFFFAOYSA-N
MW353.23 g/mol
LogP3.77
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride

N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride (PubChem CID 47030673) has the molecular formula C16H15Cl2FN4 and a molecular weight of 353.23 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride
PubChem CID47030673
Molecular FormulaC16H15Cl2FN4
Molecular Weight353.23 g/mol
Exact Mass352.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CNCc1cccnc1-n1cccn1
InChIInChI=1S/C16H14ClFN4.ClH/c17-14-5-1-6-15(18)13(14)11-19-10-12-4-2-7-20-16(12)22-9-3-8-21-22;/h1-9,19H,10-11H2;1H
InChIKeyVDPFWQJFSYBIOX-UHFFFAOYSA-N
XLogP3.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.77
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-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 47030672
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
2-[4-[[4-[[(2-chloro-6-fluorophenyl)methylamino]methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 123577258
1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 47052375
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 119106720
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride (CID 47030673) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride is Cl.Fc1cccc(Cl)c1CNCc1cccnc1-n1cccn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride?
The InChIKey is VDPFWQJFSYBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4.ClH/c17-14-5-1-6-15(18)13(14)11-19-10-12-4-2-7-20-16(12)22-9-3-8-21-22;/h1-9,19H,10-11H2;1H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride has a molecular weight of 353.23 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 47030673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).