5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline

C12H14ClN3 — CID 43663113

IUPAC5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1ccc(Cl)cc1NCc1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-9-3-4-10(13)7-12(9)14-8-11-5-6-15-16(11)2/h3-7,14H,8H2,1-2H3
InChIKeyBDLARQCIWJCNLN-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline

5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 43663113) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID43663113
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1ccc(Cl)cc1NCc1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-9-3-4-10(13)7-12(9)14-8-11-5-6-15-16(11)2/h3-7,14H,8H2,1-2H3
InChIKeyBDLARQCIWJCNLN-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
CID 63302325
4-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624653
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743
5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 86794349
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
4-N,4-N,2-trimethyl-1-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 43677065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 43663113) is 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cc1ccc(Cl)cc1NCc1ccnn1C.
What is the InChIKey of 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is BDLARQCIWJCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-3-4-10(13)7-12(9)14-8-11-5-6-15-16(11)2/h3-7,14H,8H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 235.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 43663113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).