1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide

C22H15FN4O3S — CID 52894174

IUPAC1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc12
InChIInChI=1S/C22H15FN4O3S/c1-11-16-10-18(31-22(16)27(25-11)14-6-3-12(23)4-7-14)19(28)24-13-5-8-15-17(9-13)21(30)26(2)20(15)29/h3-10H,1-2H3,(H,24,28)
InChIKeySMTIMFGNKHTORW-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 52894174) has the molecular formula C22H15FN4O3S and a molecular weight of 434.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID52894174
Molecular FormulaC22H15FN4O3S
Molecular Weight434.45 g/mol
Exact Mass434.08
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc12
InChIInChI=1S/C22H15FN4O3S/c1-11-16-10-18(31-22(16)27(25-11)14-6-3-12(23)4-7-14)19(28)24-13-5-8-15-17(9-13)21(30)26(2)20(15)29/h3-10H,1-2H3,(H,24,28)
InChIKeySMTIMFGNKHTORW-UHFFFAOYSA-N
XLogP4.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
1-(4-bromophenyl)-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3882124
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8885373
1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3582348
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4068986
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
N-(3-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112761665

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 52894174) is 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SMTIMFGNKHTORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3S/c1-11-16-10-18(31-22(16)27(25-11)14-6-3-12(23)4-7-14)19(28)24-13-5-8-15-17(9-13)21(30)26(2)20(15)29/h3-10H,1-2H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 52894174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).