1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine

C12H14ClN3 — CID 39096770

IUPAC1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-14-7-10-8-16(2)15-12(10)9-3-5-11(13)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeySEZYWXLDDAVFRM-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.46
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine

1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 39096770) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
PubChem CID39096770
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-14-7-10-8-16(2)15-12(10)9-3-5-11(13)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeySEZYWXLDDAVFRM-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

1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096752
N-[[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485212
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758
[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095867
N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
CID 79490898
1-[3-(3-fluoro-4-methylsulfonylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 79484620
4-[4-[(cyclopropylamino)methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 79485147
N-[[3-(4-bromophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79484462
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride
CID 170913013

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine (CID 39096770) is 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine is CNCc1cn(C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is SEZYWXLDDAVFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-14-7-10-8-16(2)15-12(10)9-3-5-11(13)6-4-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-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-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 39096770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).