4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide

C20H23N3OS — CID 126421257

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
SMILESCc1cc(CCCC(=O)Nc2cccc(Cn3cccn3)c2)c(C)s1
InChIInChI=1S/C20H23N3OS/c1-15-12-18(16(2)25-15)7-4-9-20(24)22-19-8-3-6-17(13-19)14-23-11-5-10-21-23/h3,5-6,8,10-13H,4,7,9,14H2,1-2H3,(H,22,24)
InChIKeyQMHVXMHGEABSPN-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.57
Rot. Bonds7

About 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide

4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide (PubChem CID 126421257) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
PubChem CID126421257
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
SMILESCc1cc(CCCC(=O)Nc2cccc(Cn3cccn3)c2)c(C)s1
InChIInChI=1S/C20H23N3OS/c1-15-12-18(16(2)25-15)7-4-9-20(24)22-19-8-3-6-17(13-19)14-23-11-5-10-21-23/h3,5-6,8,10-13H,4,7,9,14H2,1-2H3,(H,22,24)
InChIKeyQMHVXMHGEABSPN-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide (CID 126421257) is 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide is Cc1cc(CCCC(=O)Nc2cccc(Cn3cccn3)c2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide?
The InChIKey is QMHVXMHGEABSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-15-12-18(16(2)25-15)7-4-9-20(24)22-19-8-3-6-17(13-19)14-23-11-5-10-21-23/h3,5-6,8,10-13H,4,7,9,14H2,1-2H3,(H,22,24).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide has a molecular weight of 353.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 126421257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).