5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

C15H13ClN4 — CID 82883228

IUPAC5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESCc1ccc(Cl)cc1-c1[nH]nc(N)c1-c1cccnc1
InChIInChI=1S/C15H13ClN4/c1-9-4-5-11(16)7-12(9)14-13(15(17)20-19-14)10-3-2-6-18-8-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyYRPDPCJJHHEUQY-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.68
Rot. Bonds2

About 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 82883228) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID82883228
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESCc1ccc(Cl)cc1-c1[nH]nc(N)c1-c1cccnc1
InChIInChI=1S/C15H13ClN4/c1-9-4-5-11(16)7-12(9)14-13(15(17)20-19-14)10-3-2-6-18-8-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyYRPDPCJJHHEUQY-UHFFFAOYSA-N
XLogP3.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 82883228) is 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is Cc1ccc(Cl)cc1-c1[nH]nc(N)c1-c1cccnc1.
What is the InChIKey of 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is YRPDPCJJHHEUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-9-4-5-11(16)7-12(9)14-13(15(17)20-19-14)10-3-2-6-18-8-10/h2-8H,1H3,(H3,17,19,20).
What are the key properties of 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 284.75 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 82883228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).