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

C14H10BrClN4 — CID 81296185

IUPAC5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)c(Cl)c2)c1-c1cccnc1
InChIInChI=1S/C14H10BrClN4/c15-10-4-3-8(6-11(10)16)13-12(14(17)20-19-13)9-2-1-5-18-7-9/h1-7H,(H3,17,19,20)
InChIKeyPHIWOCNRCQNBET-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.14
Rot. Bonds2

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

5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 81296185) has the molecular formula C14H10BrClN4 and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID81296185
Molecular FormulaC14H10BrClN4
Molecular Weight349.62 g/mol
Exact Mass347.98
IUPAC Name5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)c(Cl)c2)c1-c1cccnc1
InChIInChI=1S/C14H10BrClN4/c15-10-4-3-8(6-11(10)16)13-12(14(17)20-19-13)9-2-1-5-18-7-9/h1-7H,(H3,17,19,20)
InChIKeyPHIWOCNRCQNBET-UHFFFAOYSA-N
XLogP4.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 81296185) is 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Br)c(Cl)c2)c1-c1cccnc1.
What is the InChIKey of 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is PHIWOCNRCQNBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4/c15-10-4-3-8(6-11(10)16)13-12(14(17)20-19-13)9-2-1-5-18-7-9/h1-7H,(H3,17,19,20).
What are the key properties of 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 349.62 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 81296185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).