5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

C14H10Cl2N4 — CID 80523799

IUPAC5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2Cl)c1-c1cccnc1
InChIInChI=1S/C14H10Cl2N4/c15-10-5-1-4-9(12(10)16)13-11(14(17)20-19-13)8-3-2-6-18-7-8/h1-7H,(H3,17,19,20)
InChIKeyHKPQTMNOWWHZPK-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.03
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 80523799) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID80523799
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2Cl)c1-c1cccnc1
InChIInChI=1S/C14H10Cl2N4/c15-10-5-1-4-9(12(10)16)13-11(14(17)20-19-13)8-3-2-6-18-7-8/h1-7H,(H3,17,19,20)
InChIKeyHKPQTMNOWWHZPK-UHFFFAOYSA-N
XLogP4.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 80523799) is 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccc(Cl)c2Cl)c1-c1cccnc1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is HKPQTMNOWWHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-10-5-1-4-9(12(10)16)13-11(14(17)20-19-13)8-3-2-6-18-7-8/h1-7H,(H3,17,19,20).
What are the key properties of 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 305.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80523799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).