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

C13H10FN5 — CID 114552623

IUPAC4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ncccn2)c1-c1ccccc1F
InChIInChI=1S/C13H10FN5/c14-9-5-2-1-4-8(9)10-11(18-19-12(10)15)13-16-6-3-7-17-13/h1-7H,(H3,15,18,19)
InChIKeyNAFOIKDTKWZTAR-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.26
Rot. Bonds2

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

4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine (PubChem CID 114552623) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine
PubChem CID114552623
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ncccn2)c1-c1ccccc1F
InChIInChI=1S/C13H10FN5/c14-9-5-2-1-4-8(9)10-11(18-19-12(10)15)13-16-6-3-7-17-13/h1-7H,(H3,15,18,19)
InChIKeyNAFOIKDTKWZTAR-UHFFFAOYSA-N
XLogP2.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521139
4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79693791
3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine
CID 10467579
3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82079954
5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521302
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 62648782
5-(3-fluoro-4-pyridinyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521210
5-(2-methyl-3-pyridinyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521275
5-(2-methylphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521126
5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499340
5-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]pyrimidin-4-amine
CID 10422526
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine (CID 114552623) is 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ncccn2)c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine?
The InChIKey is NAFOIKDTKWZTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-9-5-2-1-4-8(9)10-11(18-19-12(10)15)13-16-6-3-7-17-13/h1-7H,(H3,15,18,19).
What are the key properties of 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine?
4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine has a molecular weight of 255.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114552623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).