1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine

C12H14ClN3 — CID 66160906

IUPAC1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-14-8-9-7-10(13)3-4-11(9)12-5-6-15-16(12)2/h3-7,14H,8H2,1-2H3
InChIKeyAVRLXWBLHDXXRT-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.46
Rot. Bonds3

About 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine (PubChem CID 66160906) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
PubChem CID66160906
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-14-8-9-7-10(13)3-4-11(9)12-5-6-15-16(12)2/h3-7,14H,8H2,1-2H3
InChIKeyAVRLXWBLHDXXRT-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(2-methylpyrazol-3-yl)-5-nitrosophenyl]methanamine
CID 89069620
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66156509
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66155915
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole
CID 68557926
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine (CID 66160906) is 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1ccnn1C.
What is the InChIKey of 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine?
The InChIKey is AVRLXWBLHDXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-14-8-9-7-10(13)3-4-11(9)12-5-6-15-16(12)2/h3-7,14H,8H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66160906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).