1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C20H24ClFN4OS — CID 119554944

IUPAC1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCC3CCCNC3)cc12.Cl
InChIInChI=1S/C20H23FN4OS.ClH/c1-13-17-11-18(19(26)23-10-8-14-3-2-9-22-12-14)27-20(17)25(24-13)16-6-4-15(21)5-7-16;/h4-7,11,14,22H,2-3,8-10,12H2,1H3,(H,23,26);1H
InChIKeyBSQMXGCIHPMIGK-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119554944) has the molecular formula C20H24ClFN4OS and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119554944
Molecular FormulaC20H24ClFN4OS
Molecular Weight422.96 g/mol
Exact Mass422.13
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCC3CCCNC3)cc12.Cl
InChIInChI=1S/C20H23FN4OS.ClH/c1-13-17-11-18(19(26)23-10-8-14-3-2-9-22-12-14)27-20(17)25(24-13)16-6-4-15(21)5-7-16;/h4-7,11,14,22H,2-3,8-10,12H2,1H3,(H,23,26);1H
InChIKeyBSQMXGCIHPMIGK-UHFFFAOYSA-N
XLogP4.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119557464
1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119444771
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120554023
N-(3-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
1-(4-fluorophenyl)-3-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55723438
4-(4-fluorophenyl)-5-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119559585
N-(3-ethoxypropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24502697
N-(3-aminobutyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119494763
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2373019
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119554944) is 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCC3CCCNC3)cc12.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is BSQMXGCIHPMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS.ClH/c1-13-17-11-18(19(26)23-10-8-14-3-2-9-22-12-14)27-20(17)25(24-13)16-6-4-15(21)5-7-16;/h4-7,11,14,22H,2-3,8-10,12H2,1H3,(H,23,26);1H.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119554944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).