1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine

C12H14ClN3 — CID 83896833

IUPAC1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(-c2ccccc2C)cc1Cl
InChIInChI=1S/C12H14ClN3/c1-9-5-3-4-6-12(9)16-8-10(13)11(15-16)7-14-2/h3-6,8,14H,7H2,1-2H3
InChIKeyPCEKBGAAPORUAP-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.55
Rot. Bonds3

About 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine

1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 83896833) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID83896833
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(-c2ccccc2C)cc1Cl
InChIInChI=1S/C12H14ClN3/c1-9-5-3-4-6-12(9)16-8-10(13)11(15-16)7-14-2/h3-6,8,14H,7H2,1-2H3
InChIKeyPCEKBGAAPORUAP-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-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine
CID 83890375
2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline
CID 86676843
1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 83904750
4-chloro-1-(2-iodo-3-methylphenyl)-3-methylpyrazole
CID 71253218
[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 3708231
3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83216271
2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
CID 116817752
3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 79002314
2-[4-bromo-1-(4-chloro-2-methylphenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818615
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873
1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106777182
4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one
CID 83887677

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine (CID 83896833) is 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine is CNCc1nn(-c2ccccc2C)cc1Cl.
What is the InChIKey of 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is PCEKBGAAPORUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-5-3-4-6-12(9)16-8-10(13)11(15-16)7-14-2/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine?
1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-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-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83896833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).