5-chloro-2-(4-methylpyrazol-1-yl)aniline

C10H10ClN3 — CID 19624514

IUPAC5-chloro-2-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2ccc(Cl)cc2N)c1
InChIInChI=1S/C10H10ClN3/c1-7-5-13-14(6-7)10-3-2-8(11)4-9(10)12/h2-6H,12H2,1H3
InChIKeyIKSRYBHOJDVLQI-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.42
Rot. Bonds1

About 5-chloro-2-(4-methylpyrazol-1-yl)aniline

5-chloro-2-(4-methylpyrazol-1-yl)aniline (PubChem CID 19624514) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-chloro-2-(4-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(4-methylpyrazol-1-yl)aniline
PubChem CID19624514
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name5-chloro-2-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2ccc(Cl)cc2N)c1
InChIInChI=1S/C10H10ClN3/c1-7-5-13-14(6-7)10-3-2-8(11)4-9(10)12/h2-6H,12H2,1H3
InChIKeyIKSRYBHOJDVLQI-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylpyrazol-1-yl)aniline?
The IUPAC name of 5-chloro-2-(4-methylpyrazol-1-yl)aniline (CID 19624514) is 5-chloro-2-(4-methylpyrazol-1-yl)aniline.
What is the SMILES notation for 5-chloro-2-(4-methylpyrazol-1-yl)aniline?
The canonical SMILES for 5-chloro-2-(4-methylpyrazol-1-yl)aniline is Cc1cnn(-c2ccc(Cl)cc2N)c1.
What is the InChIKey of 5-chloro-2-(4-methylpyrazol-1-yl)aniline?
The InChIKey is IKSRYBHOJDVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-5-13-14(6-7)10-3-2-8(11)4-9(10)12/h2-6H,12H2,1H3.
What are the key properties of 5-chloro-2-(4-methylpyrazol-1-yl)aniline?
5-chloro-2-(4-methylpyrazol-1-yl)aniline has a molecular weight of 207.66 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 19624514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).