[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Chloro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11460460
1-(3-Chloro-benzyl)-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 12052258
1-(3-Chloro-benzyl)-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219164
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
1h-Pyrazolo[4,3-c]pyridine,3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-methyl-,hydrochloride
CID 45265722
1-(4-chlorobenzyl)-3-cyclopropyl-1H-pyrazole
CID 3797105
US10155727, Example 62
CID 118864420
(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-chlorobenzonitrile
CID 67170882
5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 9675756
2-[[3-(4-Chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 2319268
3-{3-(4-chlorophenyl)-4-[(hydroxyimino)methyl]-1H-pyrazol-1-yl}propanenitrile
CID 5337216
3-(3-Chlorophenyl)-1-methyl-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 44384102

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).