6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine

C16H16F3N3 — CID 176718343

IUPAC6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine
SMILESFc1ccc(-c2cn(C3CCC3)nc2C2CC2)nc1C(F)F
InChIInChI=1S/C16H16F3N3/c17-12-6-7-13(20-15(12)16(18)19)11-8-22(10-2-1-3-10)21-14(11)9-4-5-9/h6-10,16H,1-5H2
InChIKeyPEHITGJUZZBYDM-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.62
Rot. Bonds4

About 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine

6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine (PubChem CID 176718343) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine
PubChem CID176718343
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine
SMILESFc1ccc(-c2cn(C3CCC3)nc2C2CC2)nc1C(F)F
InChIInChI=1S/C16H16F3N3/c17-12-6-7-13(20-15(12)16(18)19)11-8-22(10-2-1-3-10)21-14(11)9-4-5-9/h6-10,16H,1-5H2
InChIKeyPEHITGJUZZBYDM-UHFFFAOYSA-N
XLogP4.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine (CID 176718343) is 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine is Fc1ccc(-c2cn(C3CCC3)nc2C2CC2)nc1C(F)F.
What is the InChIKey of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine?
The InChIKey is PEHITGJUZZBYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c17-12-6-7-13(20-15(12)16(18)19)11-8-22(10-2-1-3-10)21-14(11)9-4-5-9/h6-10,16H,1-5H2.
What are the key properties of 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine?
6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine has a molecular weight of 307.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 176718343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).