N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C17H16F3N3O2S — CID 97067373

IUPACN-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H16F3N3O2S/c1-9-12-7-14(26-16(12)23(2)22-9)15(25)21-13(8-24)10-3-5-11(6-4-10)17(18,19)20/h3-7,13,24H,8H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeyBNXIQVBOHPNNSO-ZDUSSCGKSA-N
MW383.40 g/mol
LogP3.43
Rot. Bonds4

About N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 97067373) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID97067373
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC NameN-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H16F3N3O2S/c1-9-12-7-14(26-16(12)23(2)22-9)15(25)21-13(8-24)10-3-5-11(6-4-10)17(18,19)20/h3-7,13,24H,8H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeyBNXIQVBOHPNNSO-ZDUSSCGKSA-N
XLogP3.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51324007
1,3-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 41448100
N-[(1R)-1-(3-chlorophenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 25488173
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-ethylbutanoic acid
CID 79813521
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 42932073
N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 56522692
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
CID 79792816
2-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]acetic acid
CID 119171583
N-[1-[3-(aminomethyl)pentan-3-ylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119572119

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 97067373) is N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BNXIQVBOHPNNSO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-9-12-7-14(26-16(12)23(2)22-9)15(25)21-13(8-24)10-3-5-11(6-4-10)17(18,19)20/h3-7,13,24H,8H2,1-2H3,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 97067373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).