1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C20H24ClFN4OS — CID 119529789

IUPAC1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C1CCNC1.Cl
InChIInChI=1S/C20H23FN4OS.ClH/c1-3-10-24(16-8-9-22-12-16)19(26)18-11-17-13(2)23-25(20(17)27-18)15-6-4-14(21)5-7-15;/h4-7,11,16,22H,3,8-10,12H2,1-2H3;1H
InChIKeyZBQJJSVUUHOBDK-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119529789) has the molecular formula C20H24ClFN4OS and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119529789
Molecular FormulaC20H24ClFN4OS
Molecular Weight422.96 g/mol
Exact Mass422.13
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C1CCNC1.Cl
InChIInChI=1S/C20H23FN4OS.ClH/c1-3-10-24(16-8-9-22-12-16)19(26)18-11-17-13(2)23-25(20(17)27-18)15-6-4-14(21)5-7-15;/h4-7,11,16,22H,3,8-10,12H2,1-2H3;1H
InChIKeyZBQJJSVUUHOBDK-UHFFFAOYSA-N
XLogP4.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119529790
1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119441142
N-butyl-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 75854569
1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120554023
4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119532306
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
N-ethyl-1-(4-fluorophenyl)-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 47922803
5-fluoro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119530599
2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119530004
N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119444771

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119529789) is 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is CCCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C1CCNC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is ZBQJJSVUUHOBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS.ClH/c1-3-10-24(16-8-9-22-12-16)19(26)18-11-17-13(2)23-25(20(17)27-18)15-6-4-14(21)5-7-15;/h4-7,11,16,22H,3,8-10,12H2,1-2H3;1H.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119529789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).