5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C9H13F3N2O — CID 90162777

IUPAC5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCOCc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H13F3N2O/c1-6(2)14-7(5-15-3)4-8(13-14)9(10,11)12/h4,6H,5H2,1-3H3
InChIKeyRVVWZGVKMVRDBP-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.63
Rot. Bonds3

About 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162777) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162777
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCOCc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H13F3N2O/c1-6(2)14-7(5-15-3)4-8(13-14)9(10,11)12/h4,6H,5H2,1-3H3
InChIKeyRVVWZGVKMVRDBP-UHFFFAOYSA-N
XLogP2.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(1-Cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine
CID 54673625
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896703
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 25247664
2-((1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methoxy)ethanamine hydrochloride
CID 25248679
1-Ethyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896820
4-methoxy-2-(trifluoromethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine
CID 57973785
4-Methoxy-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine
CID 57973803
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 58456726
1-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 70851924
2-[5-(Methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 71186688
ethyl 2-(5-(methoxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 71187469
2-(fluoromethyl)-4-methoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine
CID 89128778

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162777) is 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is COCc1cc(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is RVVWZGVKMVRDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(2)14-7(5-15-3)4-8(13-14)9(10,11)12/h4,6H,5H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 222.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).