N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C25H25FN4OS — CID 20857598

IUPACN-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)sc21
InChIInChI=1S/C25H25FN4OS/c1-29-25-20(23(28-29)19-9-5-6-10-21(19)26)15-22(32-25)24(31)27-18-11-13-30(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,27,31)
InChIKeyBYDRZKXHVILNEA-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.84
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 20857598) has the molecular formula C25H25FN4OS and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID20857598
Molecular FormulaC25H25FN4OS
Molecular Weight448.57 g/mol
Exact Mass448.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)sc21
InChIInChI=1S/C25H25FN4OS/c1-29-25-20(23(28-29)19-9-5-6-10-21(19)26)15-22(32-25)24(31)27-18-11-13-30(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,27,31)
InChIKeyBYDRZKXHVILNEA-UHFFFAOYSA-N
XLogP4.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[butyl(ethyl)amino]ethyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16007418
N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 5309545
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
CID 5309908
3-(4-chlorophenyl)-N-[2-(dipropylamino)ethyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16007420
CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
N-(4-acetylphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1452121
3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide
CID 5308230

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 20857598) is N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2F)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)sc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BYDRZKXHVILNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4OS/c1-29-25-20(23(28-29)19-9-5-6-10-21(19)26)15-22(32-25)24(31)27-18-11-13-30(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,27,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 20857598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).