3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide

C23H21N3OS — CID 2001164

IUPAC3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCCc4ccccc43)cc12
InChIInChI=1S/C23H21N3OS/c1-15-19-14-21(28-23(19)26(25-15)17-10-3-2-4-11-17)22(27)24-20-13-7-9-16-8-5-6-12-18(16)20/h2-6,8,10-12,14,20H,7,9,13H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyYJLPCGDJZHJCLP-HXUWFJFHSA-N
MW387.51 g/mol
LogP5.20
Rot. Bonds3

About 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2001164) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2001164
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCCc4ccccc43)cc12
InChIInChI=1S/C23H21N3OS/c1-15-19-14-21(28-23(19)26(25-15)17-10-3-2-4-11-17)22(27)24-20-13-7-9-16-8-5-6-12-18(16)20/h2-6,8,10-12,14,20H,7,9,13H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyYJLPCGDJZHJCLP-HXUWFJFHSA-N
XLogP5.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42916523
cis-(1R,3R)-1-methyl-3-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66819487
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 23799765
3,6-dimethyl-1-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823024
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 48505983
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
1-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122657981
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
CID 89437726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 2001164) is 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCCc4ccccc43)cc12.
What is the InChIKey of 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YJLPCGDJZHJCLP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-15-19-14-21(28-23(19)26(25-15)17-10-3-2-4-11-17)22(27)24-20-13-7-9-16-8-5-6-12-18(16)20/h2-6,8,10-12,14,20H,7,9,13H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2001164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).