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

C10H10ClN3 — CID 3435177

IUPAC4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline
SMILESCc1cc(-c2cc(Cl)ccc2N)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-6-4-10(14-13-6)8-5-7(11)2-3-9(8)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyFCMRUSITKXDXCW-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.62
Rot. Bonds1

About 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline

4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline (PubChem CID 3435177) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline
PubChem CID3435177
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline
SMILESCc1cc(-c2cc(Cl)ccc2N)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-6-4-10(14-13-6)8-5-7(11)2-3-9(8)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyFCMRUSITKXDXCW-UHFFFAOYSA-N
XLogP2.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
The IUPAC name of 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline (CID 3435177) is 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline.
What is the SMILES notation for 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
The canonical SMILES for 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline is Cc1cc(-c2cc(Cl)ccc2N)n[nH]1.
What is the InChIKey of 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
The InChIKey is FCMRUSITKXDXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-6-4-10(14-13-6)8-5-7(11)2-3-9(8)12/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline?
4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline has a molecular weight of 207.66 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline is sourced from PubChem (CID 3435177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).