5-(difluoromethyl)-1H-pyrazol-4-amine

C4H5F2N3 — CID 66425912

IUPAC5-(difluoromethyl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1C(F)F
InChIInChI=1S/C4H5F2N3/c5-4(6)3-2(7)1-8-9-3/h1,4H,7H2,(H,8,9)
InChIKeyMIVPMBLHRAAFDK-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.93
Rot. Bonds1

About 5-(difluoromethyl)-1H-pyrazol-4-amine

5-(difluoromethyl)-1H-pyrazol-4-amine (PubChem CID 66425912) has the molecular formula C4H5F2N3 and a molecular weight of 133.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-pyrazol-4-amine
PubChem CID66425912
Molecular FormulaC4H5F2N3
Molecular Weight133.10 g/mol
Exact Mass133.05
IUPAC Name5-(difluoromethyl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1C(F)F
InChIInChI=1S/C4H5F2N3/c5-4(6)3-2(7)1-8-9-3/h1,4H,7H2,(H,8,9)
InChIKeyMIVPMBLHRAAFDK-UHFFFAOYSA-N
XLogP0.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-1H-pyrazol-4-amine (CID 66425912) is 5-(difluoromethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-1H-pyrazol-4-amine is Nc1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1H-pyrazol-4-amine?
The InChIKey is MIVPMBLHRAAFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3/c5-4(6)3-2(7)1-8-9-3/h1,4H,7H2,(H,8,9).
What are the key properties of 5-(difluoromethyl)-1H-pyrazol-4-amine?
5-(difluoromethyl)-1H-pyrazol-4-amine has a molecular weight of 133.10 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 66425912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).