N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

C20H22FN3O2S — CID 47922803

IUPACN-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C20H22FN3O2S/c1-3-23(11-14-8-9-26-12-14)19(25)18-10-17-13(2)22-24(20(17)27-18)16-6-4-15(21)5-7-16/h4-7,10,14H,3,8-9,11-12H2,1-2H3
InChIKeyPLCMDTDTDCYXQH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.03
Rot. Bonds5

About N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 47922803) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID47922803
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C20H22FN3O2S/c1-3-23(11-14-8-9-26-12-14)19(25)18-10-17-13(2)22-24(20(17)27-18)16-6-4-15(21)5-7-16/h4-7,10,14H,3,8-9,11-12H2,1-2H3
InChIKeyPLCMDTDTDCYXQH-UHFFFAOYSA-N
XLogP4.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46555022
1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119441142
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119529790
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119529789
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
1-[(4-fluorophenyl)methyl]-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55659472
N-butyl-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 75854569
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2999178
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
N-(3-ethoxypropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24502697
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 47922803) is N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is CCN(CC1CCOC1)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PLCMDTDTDCYXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-3-23(11-14-8-9-26-12-14)19(25)18-10-17-13(2)22-24(20(17)27-18)16-6-4-15(21)5-7-16/h4-7,10,14H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 47922803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).