1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole

C10H14F2N2 — CID 169167177

IUPAC1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C2CC2)c1C(F)F
InChIInChI=1S/C10H14F2N2/c1-6(2)8-5-13-14(7-3-4-7)9(8)10(11)12/h5-7,10H,3-4H2,1-2H3
InChIKeyXYTVRXLNJQIAJR-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.28
Rot. Bonds3

About 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole

1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole (PubChem CID 169167177) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole
PubChem CID169167177
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C2CC2)c1C(F)F
InChIInChI=1S/C10H14F2N2/c1-6(2)8-5-13-14(7-3-4-7)9(8)10(11)12/h5-7,10H,3-4H2,1-2H3
InChIKeyXYTVRXLNJQIAJR-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole (CID 169167177) is 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole is CC(C)c1cnn(C2CC2)c1C(F)F.
What is the InChIKey of 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole?
The InChIKey is XYTVRXLNJQIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-6(2)8-5-13-14(7-3-4-7)9(8)10(11)12/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole?
1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole has a molecular weight of 200.23 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 169167177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).