3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole

C11H16F2N2O — CID 90124946

IUPAC3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole
SMILESCCC(F)(F)OCc1cc(C2CC2)nn1C
InChIInChI=1S/C11H16F2N2O/c1-3-11(12,13)16-7-9-6-10(8-4-5-8)14-15(9)2/h6,8H,3-5,7H2,1-2H3
InChIKeyBNUOOUWYQDTFRA-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.82
Rot. Bonds5

About 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole

3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole (PubChem CID 90124946) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole
PubChem CID90124946
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole
SMILESCCC(F)(F)OCc1cc(C2CC2)nn1C
InChIInChI=1S/C11H16F2N2O/c1-3-11(12,13)16-7-9-6-10(8-4-5-8)14-15(9)2/h6,8H,3-5,7H2,1-2H3
InChIKeyBNUOOUWYQDTFRA-UHFFFAOYSA-N
XLogP2.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanol
CID 25247625
(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methanol
CID 60136488
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
3-Cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole
CID 58044357
1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methoxy]-1,1-difluoro-N-methylmethanamine
CID 68641258
3-(1,1-Difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
CID 90162097
5-(Methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 90167630
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 90300070
1-Ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole
CID 118357668
3-Cyclopropyl-5-(1,1-difluoroethoxymethyl)-1-methylpyrazole
CID 124029126
3-[Fluoro(trifluoromethoxy)methyl]-1-methyl-5-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 124159479
1-(2-Methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
CID 126764366

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
The IUPAC name of 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole (CID 90124946) is 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole.
What is the SMILES notation for 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
The canonical SMILES for 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole is CCC(F)(F)OCc1cc(C2CC2)nn1C.
What is the InChIKey of 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
The InChIKey is BNUOOUWYQDTFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-11(12,13)16-7-9-6-10(8-4-5-8)14-15(9)2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole has a molecular weight of 230.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,1-difluoropropoxymethyl)-1-methylpyrazole is sourced from PubChem (CID 90124946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).