N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C20H19N3OS2 — CID 34441538

IUPACN-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C3SCCS3)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H19N3OS2/c1-14-18(13-21-23(14)17-8-3-2-4-9-17)19(24)22-16-7-5-6-15(12-16)20-25-10-11-26-20/h2-9,12-13,20H,10-11H2,1H3,(H,22,24)
InChIKeyJAMKLPFFETVJGO-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.91
Rot. Bonds4

About N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 34441538) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID34441538
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC NameN-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C3SCCS3)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H19N3OS2/c1-14-18(13-21-23(14)17-8-3-2-4-9-17)19(24)22-16-7-5-6-15(12-16)20-25-10-11-26-20/h2-9,12-13,20H,10-11H2,1H3,(H,22,24)
InChIKeyJAMKLPFFETVJGO-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
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CID 34406836
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 41360742
N-[3-(1,3-dithiolan-2-yl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 35852244
(3S)-3-acetyl-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 99797551
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60614952
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 34441538) is N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(C3SCCS3)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is JAMKLPFFETVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-14-18(13-21-23(14)17-8-3-2-4-9-17)19(24)22-16-7-5-6-15(12-16)20-25-10-11-26-20/h2-9,12-13,20H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 381.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34441538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).