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

C12H14ClN3 — CID 115877145

IUPAC2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1ccc(Cl)c(NCc2ccnn2C)c1
InChIInChI=1S/C12H14ClN3/c1-9-3-4-11(13)12(7-9)14-8-10-5-6-15-16(10)2/h3-7,14H,8H2,1-2H3
InChIKeyOEOWVJQFRVXWKL-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.99
Rot. Bonds3

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

2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 115877145) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID115877145
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1ccc(Cl)c(NCc2ccnn2C)c1
InChIInChI=1S/C12H14ClN3/c1-9-3-4-11(13)12(7-9)14-8-10-5-6-15-16(10)2/h3-7,14H,8H2,1-2H3
InChIKeyOEOWVJQFRVXWKL-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

2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
2-chloro-5-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 107631241
4-N,4-N,2-trimethyl-1-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 43677065
N-benzyl-2-chloro-5-methylaniline
CID 83290853
4-chloro-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 66078961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 115877145) is 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cc1ccc(Cl)c(NCc2ccnn2C)c1.
What is the InChIKey of 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is OEOWVJQFRVXWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-3-4-11(13)12(7-9)14-8-10-5-6-15-16(10)2/h3-7,14H,8H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
2-chloro-5-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 2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 115877145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).