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

C5H7F2N3 — CID 67451195

IUPAC5-(2,2-difluoroethyl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1CC(F)F
InChIInChI=1S/C5H7F2N3/c6-5(7)1-4-3(8)2-9-10-4/h2,5H,1,8H2,(H,9,10)
InChIKeyBMVDIDNPPRMUCT-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.80
Rot. Bonds2

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

5-(2,2-difluoroethyl)-1H-pyrazol-4-amine (PubChem CID 67451195) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1H-pyrazol-4-amine
PubChem CID67451195
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name5-(2,2-difluoroethyl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1CC(F)F
InChIInChI=1S/C5H7F2N3/c6-5(7)1-4-3(8)2-9-10-4/h2,5H,1,8H2,(H,9,10)
InChIKeyBMVDIDNPPRMUCT-UHFFFAOYSA-N
XLogP0.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine (CID 67451195) is 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine is Nc1cn[nH]c1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine?
The InChIKey is BMVDIDNPPRMUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c6-5(7)1-4-3(8)2-9-10-4/h2,5H,1,8H2,(H,9,10).
What are the key properties of 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine?
5-(2,2-difluoroethyl)-1H-pyrazol-4-amine has a molecular weight of 147.13 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 67451195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).