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

C19H23ClFN5OS — CID 119444771

IUPAC1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCN3CCNCC3)cc12.Cl
InChIInChI=1S/C19H22FN5OS.ClH/c1-13-16-12-17(18(26)22-8-11-24-9-6-21-7-10-24)27-19(16)25(23-13)15-4-2-14(20)3-5-15;/h2-5,12,21H,6-11H2,1H3,(H,22,26);1H
InChIKeyLMBDCKGVTLNPJX-UHFFFAOYSA-N
MW423.95 g/mol
LogP2.59
Rot. Bonds5

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

1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119444771) has the molecular formula C19H23ClFN5OS and a molecular weight of 423.95 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119444771
Molecular FormulaC19H23ClFN5OS
Molecular Weight423.95 g/mol
Exact Mass423.13
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCN3CCNCC3)cc12.Cl
InChIInChI=1S/C19H22FN5OS.ClH/c1-13-16-12-17(18(26)22-8-11-24-9-6-21-7-10-24)27-19(16)25(23-13)15-4-2-14(20)3-5-15;/h2-5,12,21H,6-11H2,1H3,(H,22,26);1H
InChIKeyLMBDCKGVTLNPJX-UHFFFAOYSA-N
XLogP2.59
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119445953
1-(4-fluorophenyl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46462449
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
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
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119554944
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
N-(3-ethoxypropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24502697
1-(4-fluorophenyl)-3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 60544842
N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53020512

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119444771) is 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCN3CCNCC3)cc12.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is LMBDCKGVTLNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS.ClH/c1-13-16-12-17(18(26)22-8-11-24-9-6-21-7-10-24)27-19(16)25(23-13)15-4-2-14(20)3-5-15;/h2-5,12,21H,6-11H2,1H3,(H,22,26);1H.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 423.95 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119444771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).