4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole

C10H16F2N2O — CID 162378326

IUPAC4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1c(OC(F)F)cnn1C(C)C
InChIInChI=1S/C10H16F2N2O/c1-6(2)9-8(15-10(11)12)5-13-14(9)7(3)4/h5-7,10H,1-4H3
InChIKeyOGKVOZJKLSHYCS-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.19
Rot. Bonds4

About 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole

4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole (PubChem CID 162378326) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole
PubChem CID162378326
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1c(OC(F)F)cnn1C(C)C
InChIInChI=1S/C10H16F2N2O/c1-6(2)9-8(15-10(11)12)5-13-14(9)7(3)4/h5-7,10H,1-4H3
InChIKeyOGKVOZJKLSHYCS-UHFFFAOYSA-N
XLogP3.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole
CID 168841686
1,5-di(propan-2-yl)pyrazol-4-amine
CID 66442434
2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105041901
[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
CID 21097231
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345
1-(3-fluoro-4-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114659373
[5-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]methanol
CID 66436590
[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105215710
(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646284

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole?
The IUPAC name of 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole (CID 162378326) is 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole is CC(C)c1c(OC(F)F)cnn1C(C)C.
What is the InChIKey of 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole?
The InChIKey is OGKVOZJKLSHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-6(2)9-8(15-10(11)12)5-13-14(9)7(3)4/h5-7,10H,1-4H3.
What are the key properties of 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole?
4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole has a molecular weight of 218.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 162378326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).