3-(difluoromethyl)-4-methylpyrazol-1-amine

C5H7F2N3 — CID 178089275

IUPAC3-(difluoromethyl)-4-methylpyrazol-1-amine
SMILESCc1cn(N)nc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-3-2-10(8)9-4(3)5(6)7/h2,5H,8H2,1H3
InChIKeyFXZKHEPXHKZDCT-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.84
Rot. Bonds1

About 3-(difluoromethyl)-4-methylpyrazol-1-amine

3-(difluoromethyl)-4-methylpyrazol-1-amine (PubChem CID 178089275) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methylpyrazol-1-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methylpyrazol-1-amine
PubChem CID178089275
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name3-(difluoromethyl)-4-methylpyrazol-1-amine
SMILESCc1cn(N)nc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-3-2-10(8)9-4(3)5(6)7/h2,5H,8H2,1H3
InChIKeyFXZKHEPXHKZDCT-UHFFFAOYSA-N
XLogP0.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methylpyrazol-1-amine?
The IUPAC name of 3-(difluoromethyl)-4-methylpyrazol-1-amine (CID 178089275) is 3-(difluoromethyl)-4-methylpyrazol-1-amine.
What is the SMILES notation for 3-(difluoromethyl)-4-methylpyrazol-1-amine?
The canonical SMILES for 3-(difluoromethyl)-4-methylpyrazol-1-amine is Cc1cn(N)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methylpyrazol-1-amine?
The InChIKey is FXZKHEPXHKZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-3-2-10(8)9-4(3)5(6)7/h2,5H,8H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-methylpyrazol-1-amine?
3-(difluoromethyl)-4-methylpyrazol-1-amine has a molecular weight of 147.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methylpyrazol-1-amine is sourced from PubChem (CID 178089275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).