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

C14H17N3O2S — CID 71810236

IUPAC4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C14H17N3O2S/c1-10-6-13(20-9-10)14(18)16-11-7-15-17(8-11)12-2-4-19-5-3-12/h6-9,12H,2-5H2,1H3,(H,16,18)
InChIKeyYRVGRHRKPRDFCM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.86
Rot. Bonds3

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

4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 71810236) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID71810236
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C14H17N3O2S/c1-10-6-13(20-9-10)14(18)16-11-7-15-17(8-11)12-2-4-19-5-3-12/h6-9,12H,2-5H2,1H3,(H,16,18)
InChIKeyYRVGRHRKPRDFCM-UHFFFAOYSA-N
XLogP2.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432690
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432727
4-(trans-2-(cyclobutylamino)-cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432752
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432794
N-(1,3-dimethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432830
N-(1-ethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432902
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432983
4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide (CID 71810236) is 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide is Cc1csc(C(=O)Nc2cnn(C3CCOCC3)c2)c1.
What is the InChIKey of 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is YRVGRHRKPRDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-6-13(20-9-10)14(18)16-11-7-15-17(8-11)12-2-4-19-5-3-12/h6-9,12H,2-5H2,1H3,(H,16,18).
What are the key properties of 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide?
4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71810236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).