N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide

C16H18FN3O2S — CID 40768403

IUPACN-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2
InChIInChI=1S/C16H18FN3O2S/c1-10(2)7-15(21)18-16-13-8-23(22)9-14(13)19-20(16)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)/t23-/m1/s1
InChIKeyUFUGYHOAKHONOP-HSZRJFAPSA-N
MW335.40 g/mol
LogP2.76
Rot. Bonds4

About N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide

N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 40768403) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
PubChem CID40768403
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC NameN-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2
InChIInChI=1S/C16H18FN3O2S/c1-10(2)7-15(21)18-16-13-8-23(22)9-14(13)19-20(16)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)/t23-/m1/s1
InChIKeyUFUGYHOAKHONOP-HSZRJFAPSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]pentanamide
CID 11877657
N-[(5S)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide
CID 11877682
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 2160305
N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 11877623
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 2050910
N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 40768412
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
CID 756236
N-[(5S)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 11863924
4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863869
N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756276
N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 41059892
3,4-diethoxy-N-[(5S)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 41059912

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide (CID 40768403) is N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2.
What is the InChIKey of N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is UFUGYHOAKHONOP-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-10(2)7-15(21)18-16-13-8-23(22)9-14(13)19-20(16)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)/t23-/m1/s1.
What are the key properties of N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide?
N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 335.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 40768403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).