N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C20H25FN4OS — CID 20857612

IUPACN-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCCN(C)CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C20H25FN4OS/c1-4-5-11-24(2)12-10-22-19(26)17-13-15-18(23-25(3)20(15)27-17)14-8-6-7-9-16(14)21/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,26)
InChIKeyZHXZWDYYFGZQMN-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.90
Rot. Bonds8

About N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 20857612) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID20857612
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC NameN-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCCN(C)CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C20H25FN4OS/c1-4-5-11-24(2)12-10-22-19(26)17-13-15-18(23-25(3)20(15)27-17)14-8-6-7-9-16(14)21/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,26)
InChIKeyZHXZWDYYFGZQMN-UHFFFAOYSA-N
XLogP3.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Afuresertib
CID 46843057
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 20857612) is N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CCCCN(C)CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1.
What is the InChIKey of N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZHXZWDYYFGZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c1-4-5-11-24(2)12-10-22-19(26)17-13-15-18(23-25(3)20(15)27-17)14-8-6-7-9-16(14)21/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 20857612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).