[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C19H27N3OS — CID 83280787

IUPAC[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1cc(C(C)C)n(C2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C19H27N3OS/c1-13(2)16-12-17(14(3)4)22(20-16)15-7-9-21(10-8-15)19(23)18-6-5-11-24-18/h5-6,11-15H,7-10H2,1-4H3
InChIKeyNZEVIRYTEHKGEK-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.67
Rot. Bonds4

About [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 83280787) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID83280787
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1cc(C(C)C)n(C2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C19H27N3OS/c1-13(2)16-12-17(14(3)4)22(20-16)15-7-9-21(10-8-15)19(23)18-6-5-11-24-18/h5-6,11-15H,7-10H2,1-4H3
InChIKeyNZEVIRYTEHKGEK-UHFFFAOYSA-N
XLogP4.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 31134478
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99996205
1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78795769
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 83280787) is [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone is CC(C)c1cc(C(C)C)n(C2CCN(C(=O)c3cccs3)CC2)n1.
What is the InChIKey of [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is NZEVIRYTEHKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-13(2)16-12-17(14(3)4)22(20-16)15-7-9-21(10-8-15)19(23)18-6-5-11-24-18/h5-6,11-15H,7-10H2,1-4H3.
What are the key properties of [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 345.51 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 83280787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).