1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole

C12H13F3N4O — CID 178058004

IUPAC1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccn(C2CCOC2)n1
InChIInChI=1S/C12H13F3N4O/c1-18-10(6-11(17-18)12(13,14)15)9-2-4-19(16-9)8-3-5-20-7-8/h2,4,6,8H,3,5,7H2,1H3
InChIKeyGJZOTQUUMKKVJP-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.26
Rot. Bonds2

About 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole

1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole (PubChem CID 178058004) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
PubChem CID178058004
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccn(C2CCOC2)n1
InChIInChI=1S/C12H13F3N4O/c1-18-10(6-11(17-18)12(13,14)15)9-2-4-19(16-9)8-3-5-20-7-8/h2,4,6,8H,3,5,7H2,1H3
InChIKeyGJZOTQUUMKKVJP-UHFFFAOYSA-N
XLogP2.26
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole (CID 178058004) is 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1-c1ccn(C2CCOC2)n1.
What is the InChIKey of 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
The InChIKey is GJZOTQUUMKKVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-18-10(6-11(17-18)12(13,14)15)9-2-4-19(16-9)8-3-5-20-7-8/h2,4,6,8H,3,5,7H2,1H3.
What are the key properties of 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole has a molecular weight of 286.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 178058004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).