N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide

C16H15N3O2S — CID 71810136

IUPACN-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H15N3O2S/c20-16(15-7-11-3-1-2-4-14(11)22-15)18-12-8-17-19(9-12)13-5-6-21-10-13/h1-4,7-9,13H,5-6,10H2,(H,18,20)
InChIKeyUVQWUTSBFPNBBC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.31
Rot. Bonds3

About N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide

N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide (PubChem CID 71810136) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide
PubChem CID71810136
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H15N3O2S/c20-16(15-7-11-3-1-2-4-14(11)22-15)18-12-8-17-19(9-12)13-5-6-21-10-13/h1-4,7-9,13H,5-6,10H2,(H,18,20)
InChIKeyUVQWUTSBFPNBBC-UHFFFAOYSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1505473
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43074247
N-(1-ethylpyrazol-4-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 51078650
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 1245129
2-(ethylsulfanyl)-N-[1-(oxolan-3-yl)-1H-pyrazol-4-yl]benzamide
CID 71810108
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}[p-(isopropylthio)phenyl]acetamide
CID 97428116
2-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 61017571
3-chloro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 4112613
3-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 19338136
3-chloro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 19340858
3-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 19399993

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide (CID 71810136) is N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1cnn(C2CCOC2)c1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is UVQWUTSBFPNBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(15-7-11-3-1-2-4-14(11)22-15)18-12-8-17-19(9-12)13-5-6-21-10-13/h1-4,7-9,13H,5-6,10H2,(H,18,20).
What are the key properties of N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide?
N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)pyrazol-4-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71810136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).