1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C22H17ClF2N4O2S — CID 55502265

IUPAC1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H17ClF2N4O2S/c1-11-13-10-18(32-22(13)29(28-11)17-6-4-3-5-14(17)23)20(30)27-19(21(31)26-2)12-7-8-15(24)16(25)9-12/h3-10,19H,1-2H3,(H,26,31)(H,27,30)
InChIKeyVPQHAYYFQLMGKZ-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.54
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55502265) has the molecular formula C22H17ClF2N4O2S and a molecular weight of 474.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55502265
Molecular FormulaC22H17ClF2N4O2S
Molecular Weight474.92 g/mol
Exact Mass474.07
IUPAC Name1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H17ClF2N4O2S/c1-11-13-10-18(32-22(13)29(28-11)17-6-4-3-5-14(17)23)20(30)27-19(21(31)26-2)12-7-8-15(24)16(25)9-12/h3-10,19H,1-2H3,(H,26,31)(H,27,30)
InChIKeyVPQHAYYFQLMGKZ-UHFFFAOYSA-N
XLogP4.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-methyl-N-[2-(methylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119503929
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55785532
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119617320
ethyl N-[2-[[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 56557657
1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2429755
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
1-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119509052
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120944170
1-(2-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16546983
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55790839
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55515718
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 8664450

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 55502265) is 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is CNC(=O)C(NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is VPQHAYYFQLMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O2S/c1-11-13-10-18(32-22(13)29(28-11)17-6-4-3-5-14(17)23)20(30)27-19(21(31)26-2)12-7-8-15(24)16(25)9-12/h3-10,19H,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 474.92 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55502265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).