5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

C14H11ClN4 — CID 80523727

IUPAC5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2)c1-c1cccnc1
InChIInChI=1S/C14H11ClN4/c15-11-5-3-9(4-6-11)13-12(14(16)19-18-13)10-2-1-7-17-8-10/h1-8H,(H3,16,18,19)
InChIKeyXPRCQAGMZSTEPL-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.37
Rot. Bonds2

About 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 80523727) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID80523727
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2)c1-c1cccnc1
InChIInChI=1S/C14H11ClN4/c15-11-5-3-9(4-6-11)13-12(14(16)19-18-13)10-2-1-7-17-8-10/h1-8H,(H3,16,18,19)
InChIKeyXPRCQAGMZSTEPL-UHFFFAOYSA-N
XLogP3.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 80523727) is 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Cl)cc2)c1-c1cccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is XPRCQAGMZSTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-11-5-3-9(4-6-11)13-12(14(16)19-18-13)10-2-1-7-17-8-10/h1-8H,(H3,16,18,19).
What are the key properties of 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 270.72 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80523727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).