N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H17ClN4O2S — CID 56518324

IUPACN-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)ccc1C(N)=O
InChIInChI=1S/C21H17ClN4O2S/c1-11-8-14(6-7-16(11)19(23)27)24-20(28)18-10-17-12(2)25-26(21(17)29-18)15-5-3-4-13(22)9-15/h3-10H,1-2H3,(H2,23,27)(H,24,28)
InChIKeyFULWQKCZMAYRJF-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.71
Rot. Bonds4

About N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 56518324) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID56518324
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)ccc1C(N)=O
InChIInChI=1S/C21H17ClN4O2S/c1-11-8-14(6-7-16(11)19(23)27)24-20(28)18-10-17-12(2)25-26(21(17)29-18)15-5-3-4-13(22)9-15/h3-10H,1-2H3,(H2,23,27)(H,24,28)
InChIKeyFULWQKCZMAYRJF-UHFFFAOYSA-N
XLogP4.71
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55784656
1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
N-(3-chloro-4-fluorophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 3907161
N-(3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2005840
N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8885373
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
N-[5-[(4-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1468170
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 56518324) is N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)ccc1C(N)=O.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FULWQKCZMAYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-11-8-14(6-7-16(11)19(23)27)24-20(28)18-10-17-12(2)25-26(21(17)29-18)15-5-3-4-13(22)9-15/h3-10H,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 56518324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).