4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine

C11H13ClN4 — CID 115468972

IUPAC4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
SMILESCn1nccc1CNc1cc(Cl)ccc1N
InChIInChI=1S/C11H13ClN4/c1-16-9(4-5-15-16)7-14-11-6-8(12)2-3-10(11)13/h2-6,14H,7,13H2,1H3
InChIKeyLZQPGBILUGUXGQ-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.27
Rot. Bonds3

About 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine

4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine (PubChem CID 115468972) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
PubChem CID115468972
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
SMILESCn1nccc1CNc1cc(Cl)ccc1N
InChIInChI=1S/C11H13ClN4/c1-16-9(4-5-15-16)7-14-11-6-8(12)2-3-10(11)13/h2-6,14H,7,13H2,1H3
InChIKeyLZQPGBILUGUXGQ-UHFFFAOYSA-N
XLogP2.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
CID 115474161
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
5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 86794349
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
CID 63302325
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
6-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80830403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine (CID 115468972) is 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine is Cn1nccc1CNc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine?
The InChIKey is LZQPGBILUGUXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-16-9(4-5-15-16)7-14-11-6-8(12)2-3-10(11)13/h2-6,14H,7,13H2,1H3.
What are the key properties of 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine?
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine has a molecular weight of 236.71 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115468972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).