N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C18H23N3O2S — CID 71810233

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H23N3O2S/c22-17(18(7-1-2-8-18)16-4-3-11-24-16)20-14-12-19-21(13-14)15-5-9-23-10-6-15/h3-4,11-13,15H,1-2,5-10H2,(H,20,22)
InChIKeyIOOGZSOLDZTGPI-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71810233) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71810233
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H23N3O2S/c22-17(18(7-1-2-8-18)16-4-3-11-24-16)20-14-12-19-21(13-14)15-5-9-23-10-6-15/h3-4,11-13,15H,1-2,5-10H2,(H,20,22)
InChIKeyIOOGZSOLDZTGPI-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432902
N-(1-ethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709616
1-(thiophen-2-yl)-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}cyclopentane-1-carboxamide
CID 71808035
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810100
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810199
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 52906680
(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 52907365
4-phenyl-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)tetrahydro-2H-pyran-4-carboxamide
CID 71808144
2-(4-(isopropylsulfonyl)phenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810230
4-methyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 71810236
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-3-yl)acetamide
CID 71810256
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 76149519

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71810233) is N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(Nc1cnn(C2CCOCC2)c1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is IOOGZSOLDZTGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-17(18(7-1-2-8-18)16-4-3-11-24-16)20-14-12-19-21(13-14)15-5-9-23-10-6-15/h3-4,11-13,15H,1-2,5-10H2,(H,20,22).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71810233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).