N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide

C18H19N3OS — CID 1244268

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2cc(C)n(C)n2)sc1-c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-12-9-16(23-17(12)14-7-5-4-6-8-14)18(22)19-11-15-10-13(2)21(3)20-15/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyZEARHEKTDPWUDG-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.70
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide (PubChem CID 1244268) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide
PubChem CID1244268
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2cc(C)n(C)n2)sc1-c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-12-9-16(23-17(12)14-7-5-4-6-8-14)18(22)19-11-15-10-13(2)21(3)20-15/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyZEARHEKTDPWUDG-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide (CID 1244268) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide is Cc1cc(C(=O)NCc2cc(C)n(C)n2)sc1-c1ccccc1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide?
The InChIKey is ZEARHEKTDPWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-9-16(23-17(12)14-7-5-4-6-8-14)18(22)19-11-15-10-13(2)21(3)20-15/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-methyl-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 1244268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).