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

C13H15N3O2S — CID 60782178

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1cccs1
InChIInChI=1S/C13H15N3O2S/c17-13(12-4-2-6-19-12)15-10-7-14-16(8-10)9-11-3-1-5-18-11/h2,4,6-8,11H,1,3,5,9H2,(H,15,17)
InChIKeyBKVMJTWHNYPPSF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.38
Rot. Bonds4

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

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 60782178) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID60782178
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1cccs1
InChIInChI=1S/C13H15N3O2S/c17-13(12-4-2-6-19-12)15-10-7-14-16(8-10)9-11-3-1-5-18-11/h2,4,6-8,11H,1,3,5,9H2,(H,15,17)
InChIKeyBKVMJTWHNYPPSF-UHFFFAOYSA-N
XLogP2.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 47327915
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 71867121
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 136553327
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 60557435
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (CID 60782178) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)c1cccs1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is BKVMJTWHNYPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(12-4-2-6-19-12)15-10-7-14-16(8-10)9-11-3-1-5-18-11/h2,4,6-8,11H,1,3,5,9H2,(H,15,17).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 60782178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).