1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

C14H13N3OS — CID 13205628

IUPAC1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2cccnc2)CC1c1cccs1
InChIInChI=1S/C14H13N3OS/c1-10(18)17-13(14-5-3-7-19-14)8-12(16-17)11-4-2-6-15-9-11/h2-7,9,13H,8H2,1H3
InChIKeyLUOFBPFLLOUPJC-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.84
Rot. Bonds2

About 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 13205628) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID13205628
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2cccnc2)CC1c1cccs1
InChIInChI=1S/C14H13N3OS/c1-10(18)17-13(14-5-3-7-19-14)8-12(16-17)11-4-2-6-15-9-11/h2-7,9,13H,8H2,1H3
InChIKeyLUOFBPFLLOUPJC-UHFFFAOYSA-N
XLogP2.84
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 171350228
1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2975411
1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 47087854
N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819667
1-[5-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 45133655
[(3R)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 951407
N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-4-chlorobenzenesulfonamide
CID 4575263
1-[(3R)-5-(1-hydroxynaphthalen-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 136690181
1-[(3S)-5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 100659692
1-[(3R)-5-(2,5-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 124890632
1-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7220051
2-chloro-1-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 66488770

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (CID 13205628) is 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is CC(=O)N1N=C(c2cccnc2)CC1c1cccs1.
What is the InChIKey of 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is LUOFBPFLLOUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10(18)17-13(14-5-3-7-19-14)8-12(16-17)11-4-2-6-15-9-11/h2-7,9,13H,8H2,1H3.
What are the key properties of 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 271.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 13205628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).