1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C19H22ClFN4OS — CID 119441142

IUPAC1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)C3CCNCC3)cc12.Cl
InChIInChI=1S/C19H21FN4OS.ClH/c1-12-16-11-17(18(25)23(2)14-7-9-21-10-8-14)26-19(16)24(22-12)15-5-3-13(20)4-6-15;/h3-6,11,14,21H,7-10H2,1-2H3;1H
InChIKeyFLAOPPBZBZGPDN-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.78
Rot. Bonds3

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

1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119441142) has the molecular formula C19H22ClFN4OS and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119441142
Molecular FormulaC19H22ClFN4OS
Molecular Weight408.93 g/mol
Exact Mass408.12
IUPAC Name1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)C3CCNCC3)cc12.Cl
InChIInChI=1S/C19H21FN4OS.ClH/c1-12-16-11-17(18(25)23(2)14-7-9-21-10-8-14)26-19(16)24(22-12)15-5-3-13(20)4-6-15;/h3-6,11,14,21H,7-10H2,1-2H3;1H
InChIKeyFLAOPPBZBZGPDN-UHFFFAOYSA-N
XLogP3.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119441142) is 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)C3CCNCC3)cc12.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is FLAOPPBZBZGPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS.ClH/c1-12-16-11-17(18(25)23(2)14-7-9-21-10-8-14)26-19(16)24(22-12)15-5-3-13(20)4-6-15;/h3-6,11,14,21H,7-10H2,1-2H3;1H.
What are the key properties of 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119441142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).