(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine

C12H14ClN3 — CID 115858606

IUPAC(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCc1ccc(Cl)cc1C(N)c1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-8-3-4-9(13)7-10(8)12(14)11-5-6-15-16(11)2/h3-7,12H,14H2,1-2H3
InChIKeyFBBWTAXSGNTISX-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.43
Rot. Bonds2

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

(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115858606) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID115858606
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCc1ccc(Cl)cc1C(N)c1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-8-3-4-9(13)7-10(8)12(14)11-5-6-15-16(11)2/h3-7,12H,14H2,1-2H3
InChIKeyFBBWTAXSGNTISX-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

(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758165
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(2,6-dimethyl-3-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148616
(2-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105148585
(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307338
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114198042
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine (CID 115858606) is (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine is Cc1ccc(Cl)cc1C(N)c1ccnn1C.
What is the InChIKey of (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is FBBWTAXSGNTISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-3-4-9(13)7-10(8)12(14)11-5-6-15-16(11)2/h3-7,12H,14H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine?
(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-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 (5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115858606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).