4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine

C13H9ClFN5 — CID 102921922

IUPAC4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cncnc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN5/c14-8-2-1-3-9(15)10(8)11-12(19-20-13(11)16)7-4-17-6-18-5-7/h1-6H,(H3,16,19,20)
InChIKeyGSQWSIUFRLDBPO-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.91
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine

4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine (PubChem CID 102921922) has the molecular formula C13H9ClFN5 and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
PubChem CID102921922
Molecular FormulaC13H9ClFN5
Molecular Weight289.70 g/mol
Exact Mass289.05
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cncnc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN5/c14-8-2-1-3-9(15)10(8)11-12(19-20-13(11)16)7-4-17-6-18-5-7/h1-6H,(H3,16,19,20)
InChIKeyGSQWSIUFRLDBPO-UHFFFAOYSA-N
XLogP2.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 43334983
4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
CID 81122411
4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921993
4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
CID 43334977
4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200908
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
CID 104785975
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
5-(3,5-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523682
5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523727
5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523799
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921933

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine (CID 102921922) is 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cncnc2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The InChIKey is GSQWSIUFRLDBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN5/c14-8-2-1-3-9(15)10(8)11-12(19-20-13(11)16)7-4-17-6-18-5-7/h1-6H,(H3,16,19,20).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine has a molecular weight of 289.70 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 102921922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).