4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole

C10H14F2N2O — CID 164631095

IUPAC4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
SMILESCn1cc(OC[C@H]2CCCC2(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-14-6-9(5-13-14)15-7-8-3-2-4-10(8,11)12/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyGCJOFLKEUFCQSX-MRVPVSSYSA-N
MW216.23 g/mol
LogP2.23
Rot. Bonds3

About 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole

4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole (PubChem CID 164631095) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
PubChem CID164631095
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
SMILESCn1cc(OC[C@H]2CCCC2(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-14-6-9(5-13-14)15-7-8-3-2-4-10(8,11)12/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyGCJOFLKEUFCQSX-MRVPVSSYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrazole
CID 116805248
1-Tert-butyl-4-(2,2,2-trifluoroethoxy)pyrazole
CID 139460194
1-(Difluoromethyl)-4-propan-2-yloxypyrazole
CID 155363887
4-[(1S)-3,3-difluorocyclohexyl]oxy-1-propan-2-ylpyrazole
CID 167026492
1-(Difluoromethyl)-4-ethoxypyrazole
CID 167200723
1-(1,1-Difluoropropyl)-4-ethoxypyrazole
CID 167200734
4-Propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole
CID 176692641
1-Methyl-4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]pyrazole
CID 99801181
4-[2-(2,2-Difluoroethoxy)ethoxy]-1-methylpyrazole
CID 99839020
1-Methyl-4-(2,2,2-trifluoroethoxy)-1H-pyrazole
CID 102120427
3,3,3-Trifluoro-2-[(1-methylpyrazol-4-yl)oxymethyl]propan-1-amine
CID 103366846
2-[(1-Ethylpyrazol-4-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
CID 103366847

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
The IUPAC name of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole (CID 164631095) is 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole.
What is the SMILES notation for 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
The canonical SMILES for 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole is Cn1cc(OC[C@H]2CCCC2(F)F)cn1.
What is the InChIKey of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
The InChIKey is GCJOFLKEUFCQSX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-14-6-9(5-13-14)15-7-8-3-2-4-10(8,11)12/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole has a molecular weight of 216.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole is sourced from PubChem (CID 164631095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).