3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline

C14H11ClN4 — CID 63338157

IUPAC3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline
SMILESNc1cccc(-c2cnn(-c3ncccc3Cl)c2)c1
InChIInChI=1S/C14H11ClN4/c15-13-5-2-6-17-14(13)19-9-11(8-18-19)10-3-1-4-12(16)7-10/h1-9H,16H2
InChIKeyDLVBYNCXLUNTJQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.17
Rot. Bonds2

About 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline

3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline (PubChem CID 63338157) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline
PubChem CID63338157
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline
SMILESNc1cccc(-c2cnn(-c3ncccc3Cl)c2)c1
InChIInChI=1S/C14H11ClN4/c15-13-5-2-6-17-14(13)19-9-11(8-18-19)10-3-1-4-12(16)7-10/h1-9H,16H2
InChIKeyDLVBYNCXLUNTJQ-UHFFFAOYSA-N
XLogP3.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline?
The IUPAC name of 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline (CID 63338157) is 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline.
What is the SMILES notation for 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline?
The canonical SMILES for 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline is Nc1cccc(-c2cnn(-c3ncccc3Cl)c2)c1.
What is the InChIKey of 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline?
The InChIKey is DLVBYNCXLUNTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-13-5-2-6-17-14(13)19-9-11(8-18-19)10-3-1-4-12(16)7-10/h1-9H,16H2.
What are the key properties of 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline?
3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline has a molecular weight of 270.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline is sourced from PubChem (CID 63338157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).