2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

C19H23N3OS2 — CID 134022556

IUPAC2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C19H23N3OS2/c1-13(14-7-8-14)21(2)12-19(23)22-16(18-6-4-10-25-18)11-15(20-22)17-5-3-9-24-17/h3-6,9-10,13-14,16H,7-8,11-12H2,1-2H3
InChIKeyZSLSLFACQFCWRW-UHFFFAOYSA-N
MW373.55 g/mol
LogP4.22
Rot. Bonds6

About 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 134022556) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID134022556
Molecular FormulaC19H23N3OS2
Molecular Weight373.55 g/mol
Exact Mass373.13
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C19H23N3OS2/c1-13(14-7-8-14)21(2)12-19(23)22-16(18-6-4-10-25-18)11-15(20-22)17-5-3-9-24-17/h3-6,9-10,13-14,16H,7-8,11-12H2,1-2H3
InChIKeyZSLSLFACQFCWRW-UHFFFAOYSA-N
XLogP4.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (CID 134022556) is 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is CC(C1CC1)N(C)CC(=O)N1N=C(c2cccs2)CC1c1cccs1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is ZSLSLFACQFCWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-13(14-7-8-14)21(2)12-19(23)22-16(18-6-4-10-25-18)11-15(20-22)17-5-3-9-24-17/h3-6,9-10,13-14,16H,7-8,11-12H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 373.55 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 134022556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).