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

C4H5F2N3 — CID 67485578

IUPAC4-(difluoromethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1C(F)F
InChIInChI=1S/C4H5F2N3/c5-3(6)2-1-8-9-4(2)7/h1,3H,(H3,7,8,9)
InChIKeyGQNRJUHRHJOHQR-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.93
Rot. Bonds1

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

4-(difluoromethyl)-1H-pyrazol-5-amine (PubChem CID 67485578) has the molecular formula C4H5F2N3 and a molecular weight of 133.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1H-pyrazol-5-amine
PubChem CID67485578
Molecular FormulaC4H5F2N3
Molecular Weight133.10 g/mol
Exact Mass133.05
IUPAC Name4-(difluoromethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1C(F)F
InChIInChI=1S/C4H5F2N3/c5-3(6)2-1-8-9-4(2)7/h1,3H,(H3,7,8,9)
InChIKeyGQNRJUHRHJOHQR-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 4-(difluoromethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(difluoromethyl)-1H-pyrazol-5-amine (CID 67485578) is 4-(difluoromethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(difluoromethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(difluoromethyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-1H-pyrazol-5-amine?
The InChIKey is GQNRJUHRHJOHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3/c5-3(6)2-1-8-9-4(2)7/h1,3H,(H3,7,8,9).
What are the key properties of 4-(difluoromethyl)-1H-pyrazol-5-amine?
4-(difluoromethyl)-1H-pyrazol-5-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 4-(difluoromethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 67485578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).