N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide

C14H17N3O2S — CID 90622221

IUPACN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C14H17N3O2S/c18-14(12-3-6-20-10-12)16-13-7-15-17(9-13)8-11-1-4-19-5-2-11/h3,6-7,9-11H,1-2,4-5,8H2,(H,16,18)
InChIKeyQZJSMKHGZJHTHD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.62
Rot. Bonds4

About N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide

N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 90622221) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide
PubChem CID90622221
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C14H17N3O2S/c18-14(12-3-6-20-10-12)16-13-7-15-17(9-13)8-11-1-4-19-5-2-11/h3,6-7,9-11H,1-2,4-5,8H2,(H,16,18)
InChIKeyQZJSMKHGZJHTHD-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(1,2-oxazinan-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-3-thiophenecarboxamide
CID 26278203
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
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
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}-3-thenamide
CID 97428110
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
CID 60322788
5-bromo-N-(1-methyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 32609166
N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 32609210
5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide
CID 35280212
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
CID 38610685
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
CID 38610687

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide (CID 90622221) is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide is O=C(Nc1cnn(CC2CCOCC2)c1)c1ccsc1.
What is the InChIKey of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is QZJSMKHGZJHTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-14(12-3-6-20-10-12)16-13-7-15-17(9-13)8-11-1-4-19-5-2-11/h3,6-7,9-11H,1-2,4-5,8H2,(H,16,18).
What are the key properties of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide?
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.62, 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-ylmethyl)pyrazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 90622221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).