4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine

C7H6FN5 — CID 165492530

IUPAC4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncn2)c1F
InChIInChI=1S/C7H6FN5/c8-5-6(12-13-7(5)9)4-1-2-10-3-11-4/h1-3H,(H3,9,12,13)
InChIKeyCNBFDDVESYZIOO-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.59
Rot. Bonds1

About 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine

4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine (PubChem CID 165492530) has the molecular formula C7H6FN5 and a molecular weight of 179.16 g/mol. Its IUPAC name is 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine
PubChem CID165492530
Molecular FormulaC7H6FN5
Molecular Weight179.16 g/mol
Exact Mass179.06
IUPAC Name4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncn2)c1F
InChIInChI=1S/C7H6FN5/c8-5-6(12-13-7(5)9)4-1-2-10-3-11-4/h1-3H,(H3,9,12,13)
InChIKeyCNBFDDVESYZIOO-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499340
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 170687412
5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
CID 165492540
4,5-dipyridin-4-yl-1H-pyrazol-3-amine
CID 80524588
5-(2-bromo-6-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499401
4-(6-bromo-2-pyridinyl)pyrimidine
CID 102457660
4-(2-fluoro-3-pyridinyl)pyrimidine
CID 67036363
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499403
5-(3-fluoro-4-pyridinyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521210
4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921993

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine (CID 165492530) is 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccncn2)c1F.
What is the InChIKey of 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine?
The InChIKey is CNBFDDVESYZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5/c8-5-6(12-13-7(5)9)4-1-2-10-3-11-4/h1-3H,(H3,9,12,13).
What are the key properties of 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine?
4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine has a molecular weight of 179.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 165492530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).