3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline

C10H9Cl2N3 — CID 106890917

IUPAC3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2c(Cl)cc(N)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N3/c1-6-2-3-15(14-6)10-8(11)4-7(13)5-9(10)12/h2-5H,13H2,1H3
InChIKeyHQSIERQWMWOWMB-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.07
Rot. Bonds1

About 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline

3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline (PubChem CID 106890917) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
PubChem CID106890917
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2c(Cl)cc(N)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N3/c1-6-2-3-15(14-6)10-8(11)4-7(13)5-9(10)12/h2-5H,13H2,1H3
InChIKeyHQSIERQWMWOWMB-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(3-methylpyrazol-1-yl)aniline
CID 82405406
3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline
CID 106890907
3,5-dichloro-4-(tetrazol-1-yl)aniline
CID 53214359
2,3,5-trichloro-6-(3-methylpyrazol-1-yl)pyridine
CID 102752171
2-(3-methylpyrazol-1-yl)pyridin-4-amine
CID 62494645
ethyl 5-amino-3-chloro-2-(3-propan-2-ylpyrazol-1-yl)benzoate
CID 107197109
4-chloro-6-(3-methylpyrazol-1-yl)pyrimidin-5-amine
CID 63021721
6-methyl-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 82404538
1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole
CID 102401866
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427
[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol
CID 81152574
[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 107105879

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline (CID 106890917) is 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline is Cc1ccn(-c2c(Cl)cc(N)cc2Cl)n1.
What is the InChIKey of 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline?
The InChIKey is HQSIERQWMWOWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-6-2-3-15(14-6)10-8(11)4-7(13)5-9(10)12/h2-5H,13H2,1H3.
What are the key properties of 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline?
3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline has a molecular weight of 242.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 106890917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).