5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine

C14H10BrFN4 — CID 80521302

IUPAC5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(Br)ccc2F)c1-c1ccccn1
InChIInChI=1S/C14H10BrFN4/c15-8-4-5-10(16)9(7-8)13-12(14(17)20-19-13)11-3-1-2-6-18-11/h1-7H,(H3,17,19,20)
InChIKeyDVVMWTHNSMPGRA-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.62
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine

5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 80521302) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID80521302
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(Br)ccc2F)c1-c1ccccn1
InChIInChI=1S/C14H10BrFN4/c15-8-4-5-10(16)9(7-8)13-12(14(17)20-19-13)11-3-1-2-6-18-11/h1-7H,(H3,17,19,20)
InChIKeyDVVMWTHNSMPGRA-UHFFFAOYSA-N
XLogP3.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12106168
CID 12106168
CID 7446899
CID 7446899
CID 10900715
CID 10900715
CID 15513101
CID 15513101
CID 18674213
CID 18674213
CID 15428657
CID 15428657
CID 42647299
CID 42647299
CID 45926067
CID 45926067
CID 18769385
CID 18769385
CID 176376050
CID 176376050
CID 176376227
CID 176376227
CID 1477762
CID 1477762

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine (CID 80521302) is 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cc(Br)ccc2F)c1-c1ccccn1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is DVVMWTHNSMPGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-8-4-5-10(16)9(7-8)13-12(14(17)20-19-13)11-3-1-2-6-18-11/h1-7H,(H3,17,19,20).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 333.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80521302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).