N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide

C13H17N3OS — CID 100739698

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)Cc1cnn(C)c1C
InChIInChI=1S/C13H17N3OS/c1-9-7-18-8-12(9)13(17)15(3)6-11-5-14-16(4)10(11)2/h5,7-8H,6H2,1-4H3
InChIKeyBBMNTDSHIUYSRZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.37
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide (PubChem CID 100739698) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide
PubChem CID100739698
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)Cc1cnn(C)c1C
InChIInChI=1S/C13H17N3OS/c1-9-7-18-8-12(9)13(17)15(3)6-11-5-14-16(4)10(11)2/h5,7-8H,6H2,1-4H3
InChIKeyBBMNTDSHIUYSRZ-UHFFFAOYSA-N
XLogP2.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide (CID 100739698) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide is Cc1cscc1C(=O)N(C)Cc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide?
The InChIKey is BBMNTDSHIUYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-7-18-8-12(9)13(17)15(3)6-11-5-14-16(4)10(11)2/h5,7-8H,6H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,4-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 100739698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).