(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine

C12H14ClN3 — CID 115808803

IUPAC(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cccc(C(N)c2cnn(C)c2)c1Cl
InChIInChI=1S/C12H14ClN3/c1-8-4-3-5-10(11(8)13)12(14)9-6-15-16(2)7-9/h3-7,12H,14H2,1-2H3
InChIKeyAWBDBWNGKWPMEY-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.43
Rot. Bonds2

About (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine

(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115808803) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID115808803
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cccc(C(N)c2cnn(C)c2)c1Cl
InChIInChI=1S/C12H14ClN3/c1-8-4-3-5-10(11(8)13)12(14)9-6-15-16(2)7-9/h3-7,12H,14H2,1-2H3
InChIKeyAWBDBWNGKWPMEY-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124207
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289593
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 114024187
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
(4-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113277074
(2-chloro-3-methylphenyl)-(1-ethylimidazol-4-yl)methanamine
CID 114272933
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291040
(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124203

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine (CID 115808803) is (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine is Cc1cccc(C(N)c2cnn(C)c2)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is AWBDBWNGKWPMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-4-3-5-10(11(8)13)12(14)9-6-15-16(2)7-9/h3-7,12H,14H2,1-2H3.
What are the key properties of (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115808803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).