1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole

C10H14F2N2 — CID 59186486

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC2CC2(F)F)c1
InChIInChI=1S/C10H14F2N2/c1-7(2)8-4-13-14(5-8)6-9-3-10(9,11)12/h4-5,7,9H,3,6H2,1-2H3
InChIKeyMAFKQEILZSRRKA-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.66
Rot. Bonds3

About 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole

1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole (PubChem CID 59186486) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole
PubChem CID59186486
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC2CC2(F)F)c1
InChIInChI=1S/C10H14F2N2/c1-7(2)8-4-13-14(5-8)6-9-3-10(9,11)12/h4-5,7,9H,3,6H2,1-2H3
InChIKeyMAFKQEILZSRRKA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole (CID 59186486) is 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole is CC(C)c1cnn(CC2CC2(F)F)c1.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole?
The InChIKey is MAFKQEILZSRRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-7(2)8-4-13-14(5-8)6-9-3-10(9,11)12/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole?
1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole has a molecular weight of 200.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole is sourced from PubChem (CID 59186486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).