2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone

C19H29N3O2 — CID 127032777

IUPAC2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccccc1C1CC(C)=NN1C(=O)CN(C(C)C)C(C)C
InChIInChI=1S/C19H29N3O2/c1-13(2)21(14(3)4)12-19(23)22-17(11-15(5)20-22)16-9-7-8-10-18(16)24-6/h7-10,13-14,17H,11-12H2,1-6H3
InChIKeyMLBPAQHATGHTAD-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.46
Rot. Bonds6

About 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone

2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 127032777) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID127032777
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccccc1C1CC(C)=NN1C(=O)CN(C(C)C)C(C)C
InChIInChI=1S/C19H29N3O2/c1-13(2)21(14(3)4)12-19(23)22-17(11-15(5)20-22)16-9-7-8-10-18(16)24-6/h7-10,13-14,17H,11-12H2,1-6H3
InChIKeyMLBPAQHATGHTAD-UHFFFAOYSA-N
XLogP3.46
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone (CID 127032777) is 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone is COc1ccccc1C1CC(C)=NN1C(=O)CN(C(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is MLBPAQHATGHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)21(14(3)4)12-19(23)22-17(11-15(5)20-22)16-9-7-8-10-18(16)24-6/h7-10,13-14,17H,11-12H2,1-6H3.
What are the key properties of 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 127032777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).