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

C13H15N3O2S — CID 71810204

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1cccs1
InChIInChI=1S/C13H15N3O2S/c17-13(12-2-1-7-19-12)15-10-8-14-16(9-10)11-3-5-18-6-4-11/h1-2,7-9,11H,3-6H2,(H,15,17)
InChIKeyMOJCIHFYWUYZEH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.55
Rot. Bonds3

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

N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 71810204) 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-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID71810204
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1cccs1
InChIInChI=1S/C13H15N3O2S/c17-13(12-2-1-7-19-12)15-10-8-14-16(9-10)11-3-5-18-6-4-11/h1-2,7-9,11H,3-6H2,(H,15,17)
InChIKeyMOJCIHFYWUYZEH-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

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228
5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810129
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
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-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
N-[1-(oxan-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71810180
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 71810179
(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide (CID 71810204) is N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(C2CCOCC2)c1)c1cccs1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is MOJCIHFYWUYZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(12-2-1-7-19-12)15-10-8-14-16(9-10)11-3-5-18-6-4-11/h1-2,7-9,11H,3-6H2,(H,15,17).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 71810204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).