2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C19H26N4O2 — CID 71977198

IUPAC2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C19H26N4O2/c1-14(15-9-7-6-8-10-15)22(5)17(24)13-23-12-16(11-20-23)21-18(25)19(2,3)4/h6-12,14H,13H2,1-5H3,(H,21,25)
InChIKeySXTPGZUJYJKOIE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.09
Rot. Bonds5

About 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 71977198) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID71977198
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C19H26N4O2/c1-14(15-9-7-6-8-10-15)22(5)17(24)13-23-12-16(11-20-23)21-18(25)19(2,3)4/h6-12,14H,13H2,1-5H3,(H,21,25)
InChIKeySXTPGZUJYJKOIE-UHFFFAOYSA-N
XLogP3.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 71977198) is 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is CC(c1ccccc1)N(C)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is SXTPGZUJYJKOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(15-9-7-6-8-10-15)22(5)17(24)13-23-12-16(11-20-23)21-18(25)19(2,3)4/h6-12,14H,13H2,1-5H3,(H,21,25).
What are the key properties of 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 71977198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).