N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide

C14H17N3O2S — CID 71810256

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H17N3O2S/c18-14(7-11-3-6-20-10-11)16-12-8-15-17(9-12)13-1-4-19-5-2-13/h3,6,8-10,13H,1-2,4-5,7H2,(H,16,18)
InChIKeyMNHOUSJACNVKNL-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.48
Rot. Bonds4

About N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide (PubChem CID 71810256) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide
PubChem CID71810256
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H17N3O2S/c18-14(7-11-3-6-20-10-11)16-12-8-15-17(9-12)13-1-4-19-5-2-13/h3,6,8-10,13H,1-2,4-5,7H2,(H,16,18)
InChIKeyMNHOUSJACNVKNL-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71810233
4-methyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 71810236
1-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 71810270
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 76149519
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 90622221
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(2-thienyl)acetamide
CID 97428064
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
CID 47057481
N-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-2-(3-thienyl)acetamide
CID 91777778
3,3-dimethyl-N-[(2R)-2-pyrazol-1-yl-2-thiophen-3-ylethyl]butanamide
CID 129528352
N-(1-ethylpyrazol-4-yl)-3-thiophen-3-ylpropanamide
CID 35275995

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide (CID 71810256) is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide?
The InChIKey is MNHOUSJACNVKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-14(7-11-3-6-20-10-11)16-12-8-15-17(9-12)13-1-4-19-5-2-13/h3,6,8-10,13H,1-2,4-5,7H2,(H,16,18).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-3-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 2.48, 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]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 71810256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).