4-(2,4-difluorophenyl)-1H-pyrazol-5-amine

C9H7F2N3 — CID 64560279

IUPAC4-(2,4-difluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(F)cc1F
InChIInChI=1S/C9H7F2N3/c10-5-1-2-6(8(11)3-5)7-4-13-14-9(7)12/h1-4H,(H3,12,13,14)
InChIKeyYNHYVWKEFBJUAV-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.94
Rot. Bonds1

About 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine

4-(2,4-difluorophenyl)-1H-pyrazol-5-amine (PubChem CID 64560279) has the molecular formula C9H7F2N3 and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1H-pyrazol-5-amine
PubChem CID64560279
Molecular FormulaC9H7F2N3
Molecular Weight195.17 g/mol
Exact Mass195.06
IUPAC Name4-(2,4-difluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(F)cc1F
InChIInChI=1S/C9H7F2N3/c10-5-1-2-6(8(11)3-5)7-4-13-14-9(7)12/h1-4H,(H3,12,13,14)
InChIKeyYNHYVWKEFBJUAV-UHFFFAOYSA-N
XLogP1.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine (CID 64560279) is 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is YNHYVWKEFBJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3/c10-5-1-2-6(8(11)3-5)7-4-13-14-9(7)12/h1-4H,(H3,12,13,14).
What are the key properties of 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine?
4-(2,4-difluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 195.17 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 64560279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).