4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride

C10H11Cl2N3 — CID 53433774

IUPAC4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride
SMILESCc1cc(Cl)n(-c2ccc(N)cc2)n1.Cl
InChIInChI=1S/C10H10ClN3.ClH/c1-7-6-10(11)14(13-7)9-4-2-8(12)3-5-9;/h2-6H,12H2,1H3;1H
InChIKeyMVYGTYKCEISQCG-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.84
Rot. Bonds1

About 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride

4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride (PubChem CID 53433774) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride
PubChem CID53433774
Molecular FormulaC10H11Cl2N3
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride
SMILESCc1cc(Cl)n(-c2ccc(N)cc2)n1.Cl
InChIInChI=1S/C10H10ClN3.ClH/c1-7-6-10(11)14(13-7)9-4-2-8(12)3-5-9;/h2-6H,12H2,1H3;1H
InChIKeyMVYGTYKCEISQCG-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride?
The IUPAC name of 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride (CID 53433774) is 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride.
What is the SMILES notation for 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride?
The canonical SMILES for 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride is Cc1cc(Cl)n(-c2ccc(N)cc2)n1.Cl.
What is the InChIKey of 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride?
The InChIKey is MVYGTYKCEISQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3.ClH/c1-7-6-10(11)14(13-7)9-4-2-8(12)3-5-9;/h2-6H,12H2,1H3;1H.
What are the key properties of 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride?
4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride has a molecular weight of 244.13 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride is sourced from PubChem (CID 53433774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).