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

C19H22ClFN4OS — CID 120554023

IUPAC1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCNCC3C)cc12.Cl
InChIInChI=1S/C19H21FN4OS.ClH/c1-11-10-21-8-7-16(11)22-18(25)17-9-15-12(2)23-24(19(15)26-17)14-5-3-13(20)4-6-14;/h3-6,9,11,16,21H,7-8,10H2,1-2H3,(H,22,25);1H
InChIKeyBMTAFKUANLLKHG-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.68
Rot. Bonds3

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

1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 120554023) has the molecular formula C19H22ClFN4OS and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID120554023
Molecular FormulaC19H22ClFN4OS
Molecular Weight408.93 g/mol
Exact Mass408.12
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCNCC3C)cc12.Cl
InChIInChI=1S/C19H21FN4OS.ClH/c1-11-10-21-8-7-16(11)22-18(25)17-9-15-12(2)23-24(19(15)26-17)14-5-3-13(20)4-6-14;/h3-6,9,11,16,21H,7-8,10H2,1-2H3,(H,22,25);1H
InChIKeyBMTAFKUANLLKHG-UHFFFAOYSA-N
XLogP3.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2373019
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1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120553626
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CID 119554944
cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677354
1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119441142
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
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119529789
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 120554023) is 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCNCC3C)cc12.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is BMTAFKUANLLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS.ClH/c1-11-10-21-8-7-16(11)22-18(25)17-9-15-12(2)23-24(19(15)26-17)14-5-3-13(20)4-6-14;/h3-6,9,11,16,21H,7-8,10H2,1-2H3,(H,22,25);1H.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.68, 3 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-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120554023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).