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

C20H18FN3O2S — CID 4803600

IUPAC1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)o1
InChIInChI=1S/C20H18FN3O2S/c1-12-4-9-16(26-12)11-23(3)19(25)18-10-17-13(2)22-24(20(17)27-18)15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3
InChIKeyAWGIHKOEBRPVCZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.71
Rot. Bonds4

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

1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 4803600) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID4803600
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)o1
InChIInChI=1S/C20H18FN3O2S/c1-12-4-9-16(26-12)11-23(3)19(25)18-10-17-13(2)22-24(20(17)27-18)15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3
InChIKeyAWGIHKOEBRPVCZ-UHFFFAOYSA-N
XLogP4.71
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1907611
N-[2-(tert-butylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 644441
3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid cyclopentylcarbamoylmethyl-furan-2-ylmethyl-amide
CID 649983
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 655128
3-(2-fluorophenyl)-5-{[4-(2-furoyl)piperazin-1-yl]carbonyl}-1-methyl-1H-thieno[2,3-c]pyrazole
CID 3243355
N-(2-furylmethyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3244133
1-cyclohexyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698069
N-(2-methoxyphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1079710
3-(3-methoxyphenyl)-1-methyl-N-[(5-methyl-2-furyl)methyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3238005
3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamide
CID 5307826
3-(2-fluorophenyl)-N~5~-[3-(2-furyl)-1-methylpropyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 5309489
[4-[1-(4-Chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 2010820

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 4803600) is 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccc(CN(C)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AWGIHKOEBRPVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-12-4-9-16(26-12)11-23(3)19(25)18-10-17-13(2)22-24(20(17)27-18)15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 4803600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).