1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

C13H16ClN3 — CID 103134589

IUPAC1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1ccn(C)n1
InChIInChI=1S/C13H16ClN3/c1-9-6-10(8-11(14)7-9)13(15-2)12-4-5-17(3)16-12/h4-8,13,15H,1-3H3
InChIKeyHUXNBBUFYXMTOO-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103134589) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID103134589
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1ccn(C)n1
InChIInChI=1S/C13H16ClN3/c1-9-6-10(8-11(14)7-9)13(15-2)12-4-5-17(3)16-12/h4-8,13,15H,1-3H3
InChIKeyHUXNBBUFYXMTOO-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 103135486
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135352
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200840
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322
N-[(3-bromo-5-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 107947083
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012
1-(3-chloro-5-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81323793
N-methyl-1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 79987622
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808288

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 103134589) is 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CNC(c1cc(C)cc(Cl)c1)c1ccn(C)n1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is HUXNBBUFYXMTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-6-10(8-11(14)7-9)13(15-2)12-4-5-17(3)16-12/h4-8,13,15H,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 249.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103134589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).