4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine

C8H6F3N5 — CID 171659610

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C8H6F3N5/c9-5-2-13-8(12)15-6(5)4-1-14-16(3-4)7(10)11/h1-3,7H,(H2,12,13,15)
InChIKeyMSWWPPYUOUNOOT-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.46
Rot. Bonds2

About 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine

4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine (PubChem CID 171659610) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine
PubChem CID171659610
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C8H6F3N5/c9-5-2-13-8(12)15-6(5)4-1-14-16(3-4)7(10)11/h1-3,7H,(H2,12,13,15)
InChIKeyMSWWPPYUOUNOOT-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
CID 171392254
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane
CID 178061150
6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine
CID 164537206
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839
4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
CID 115504031
6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
CID 167766852
4-(3-ethyl-2-methylimidazol-4-yl)-5-fluoropyrimidin-2-amine
CID 69071277
3-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 171392227
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
5-fluoro-4-(2-methyl-5-propan-2-yl-1H-imidazol-4-yl)pyrimidin-2-amine
CID 69102130
5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine
CID 176685842

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine (CID 171659610) is 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(-c2cnn(C(F)F)c2)n1.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is MSWWPPYUOUNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-5-2-13-8(12)15-6(5)4-1-14-16(3-4)7(10)11/h1-3,7H,(H2,12,13,15).
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine?
4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 229.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 171659610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).