N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline

C10H10ClN3 — CID 90741550

IUPACN-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline
SMILESCc1cc(-c2ccccc2NCl)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-7-6-10(14-13-7)8-4-2-3-5-9(8)12-11/h2-6,12H,1H3,(H,13,14)
InChIKeyQMXUASQUNKZSSP-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.95
Rot. Bonds2

About N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline

N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline (PubChem CID 90741550) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline.

Molecular Properties

Compound NameN-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline
PubChem CID90741550
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC NameN-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline
SMILESCc1cc(-c2ccccc2NCl)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-7-6-10(14-13-7)8-4-2-3-5-9(8)12-11/h2-6,12H,1H3,(H,13,14)
InChIKeyQMXUASQUNKZSSP-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
3-methyl-1H-indazole
CID 820804
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
The IUPAC name of N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline (CID 90741550) is N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline.
What is the SMILES notation for N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
The canonical SMILES for N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline is Cc1cc(-c2ccccc2NCl)n[nH]1.
What is the InChIKey of N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
The InChIKey is QMXUASQUNKZSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-6-10(14-13-7)8-4-2-3-5-9(8)12-11/h2-6,12H,1H3,(H,13,14).
What are the key properties of N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline has a molecular weight of 207.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline is sourced from PubChem (CID 90741550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).