[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine

C12H14ClN3 — CID 66156710

IUPAC[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
SMILESCc1c(-c2ccc(Cl)cc2CN)cnn1C
InChIInChI=1S/C12H14ClN3/c1-8-12(7-15-16(8)2)11-4-3-10(13)5-9(11)6-14/h3-5,7H,6,14H2,1-2H3
InChIKeyZOIVUAPDDBBKII-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.51
Rot. Bonds2

About [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine

[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine (PubChem CID 66156710) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
PubChem CID66156710
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
SMILESCc1c(-c2ccc(Cl)cc2CN)cnn1C
InChIInChI=1S/C12H14ClN3/c1-8-12(7-15-16(8)2)11-4-3-10(13)5-9(11)6-14/h3-5,7H,6,14H2,1-2H3
InChIKeyZOIVUAPDDBBKII-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine (CID 66156710) is [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine is Cc1c(-c2ccc(Cl)cc2CN)cnn1C.
What is the InChIKey of [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is ZOIVUAPDDBBKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-12(7-15-16(8)2)11-4-3-10(13)5-9(11)6-14/h3-5,7H,6,14H2,1-2H3.
What are the key properties of [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine?
[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 66156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).