(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

C20H22FN3O2S — CID 42892420

IUPAC(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCCC1CN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CCO1
InChIInChI=1S/C20H22FN3O2S/c1-3-16-12-23(8-9-26-16)19(25)18-10-17-13(2)22-24(20(17)27-18)11-14-4-6-15(21)7-5-14/h4-7,10,16H,3,8-9,11-12H2,1-2H3
InChIKeyCMYYTSCHIAAPTF-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.84
Rot. Bonds4

About (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 42892420) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID42892420
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCCC1CN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CCO1
InChIInChI=1S/C20H22FN3O2S/c1-3-16-12-23(8-9-26-16)19(25)18-10-17-13(2)22-24(20(17)27-18)11-14-4-6-15(21)7-5-14/h4-7,10,16H,3,8-9,11-12H2,1-2H3
InChIKeyCMYYTSCHIAAPTF-UHFFFAOYSA-N
XLogP3.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
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CID 17458444
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 25296363
(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 119380770
1-[(4-fluorophenyl)methyl]-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55659472
2-[4-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451935
[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46656222
[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 154835011
N-(1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2576373
1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17463930
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528241

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 42892420) is (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is CCC1CN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CCO1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is CMYYTSCHIAAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-3-16-12-23(8-9-26-16)19(25)18-10-17-13(2)22-24(20(17)27-18)11-14-4-6-15(21)7-5-14/h4-7,10,16H,3,8-9,11-12H2,1-2H3.
What are the key properties of (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 42892420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).