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

C13H15N3O2S — CID 71810228

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C13H15N3O2S/c17-13(10-3-6-19-9-10)15-11-7-14-16(8-11)12-1-4-18-5-2-12/h3,6-9,12H,1-2,4-5H2,(H,15,17)
InChIKeySINZFEAVTPNXLL-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.55
Rot. Bonds3

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

N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 71810228) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
PubChem CID71810228
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C13H15N3O2S/c17-13(10-3-6-19-9-10)15-11-7-14-16(8-11)12-1-4-18-5-2-12/h3,6-9,12H,1-2,4-5H2,(H,15,17)
InChIKeySINZFEAVTPNXLL-UHFFFAOYSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
N-[1-(oxan-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71810180
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 71810179
3,4,5-triethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597650
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427968

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide (CID 71810228) is N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide is O=C(Nc1cnn(C2CCOCC2)c1)c1ccsc1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is SINZFEAVTPNXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(10-3-6-19-9-10)15-11-7-14-16(8-11)12-1-4-18-5-2-12/h3,6-9,12H,1-2,4-5H2,(H,15,17).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.55, 3 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]thiophene-3-carboxamide is sourced from PubChem (CID 71810228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).