[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine

C12H14ClN3 — CID 82083524

IUPAC[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
SMILESCc1c(Cl)cccc1-n1nc(CN)cc1C
InChIInChI=1S/C12H14ClN3/c1-8-6-10(7-14)15-16(8)12-5-3-4-11(13)9(12)2/h3-6H,7,14H2,1-2H3
InChIKeyDZTZIFPPMBQILU-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.60
Rot. Bonds2

About [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine

[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine (PubChem CID 82083524) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
PubChem CID82083524
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
SMILESCc1c(Cl)cccc1-n1nc(CN)cc1C
InChIInChI=1S/C12H14ClN3/c1-8-6-10(7-14)15-16(8)12-5-3-4-11(13)9(12)2/h3-6H,7,14H2,1-2H3
InChIKeyDZTZIFPPMBQILU-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine (CID 82083524) is [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine is Cc1c(Cl)cccc1-n1nc(CN)cc1C.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
The InChIKey is DZTZIFPPMBQILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-6-10(7-14)15-16(8)12-5-3-4-11(13)9(12)2/h3-6H,7,14H2,1-2H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine?
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82083524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).