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

C12H14ClN3 — CID 114854548

IUPAC1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-n1ccc(C)n1
InChIInChI=1S/C12H14ClN3/c1-9-5-6-16(15-9)12-4-3-11(13)7-10(12)8-14-2/h3-7,14H,8H2,1-2H3
InChIKeyTWUNHHUQXWBQKO-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.55
Rot. Bonds3

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

1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine (PubChem CID 114854548) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
PubChem CID114854548
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-n1ccc(C)n1
InChIInChI=1S/C12H14ClN3/c1-9-5-6-16(15-9)12-4-3-11(13)7-10(12)8-14-2/h3-7,14H,8H2,1-2H3
InChIKeyTWUNHHUQXWBQKO-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854301
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854535
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 105074738
N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854597
[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol
CID 81152574
N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62489506
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873
1-[4-chloro-2-(chloromethyl)phenyl]-3-propan-2-ylpyrazole
CID 114846887
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
1-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854289

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine (CID 114854548) is 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-n1ccc(C)n1.
What is the InChIKey of 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is TWUNHHUQXWBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-5-6-16(15-9)12-4-3-11(13)7-10(12)8-14-2/h3-7,14H,8H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.55, 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-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114854548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).