N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C19H23N3OS — CID 51956179

IUPACN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)N[C@H](C)c3cc(C)sc3C)cc2)CC1
InChIInChI=1S/C19H23N3OS/c1-12-9-10-22(21-12)17-7-5-16(6-8-17)19(23)20-14(3)18-11-13(2)24-15(18)4/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyDZULMALFICLVED-CQSZACIVSA-N
MW341.48 g/mol
LogP4.44
Rot. Bonds4

About N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 51956179) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID51956179
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)N[C@H](C)c3cc(C)sc3C)cc2)CC1
InChIInChI=1S/C19H23N3OS/c1-12-9-10-22(21-12)17-7-5-16(6-8-17)19(23)20-14(3)18-11-13(2)24-15(18)4/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyDZULMALFICLVED-CQSZACIVSA-N
XLogP4.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 51956179) is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)N[C@H](C)c3cc(C)sc3C)cc2)CC1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is DZULMALFICLVED-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-12-9-10-22(21-12)17-7-5-16(6-8-17)19(23)20-14(3)18-11-13(2)24-15(18)4/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 341.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 51956179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).