(2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H29N3O — CID 95592132

IUPAC(2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C20H29N3O/c1-7-18(17-12-10-9-11-13-17)23(8-2)20(24)14(3)19-15(4)21-22(6)16(19)5/h9-14,18H,7-8H2,1-6H3/t14-,18-/m0/s1
InChIKeyUGSCCGRNAJAYCY-KSSFIOAISA-N
MW327.47 g/mol
LogP4.14
Rot. Bonds6

About (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95592132) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95592132
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C20H29N3O/c1-7-18(17-12-10-9-11-13-17)23(8-2)20(24)14(3)19-15(4)21-22(6)16(19)5/h9-14,18H,7-8H2,1-6H3/t14-,18-/m0/s1
InChIKeyUGSCCGRNAJAYCY-KSSFIOAISA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95592132) is (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1c(C)nn(C)c1C.
What is the InChIKey of (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is UGSCCGRNAJAYCY-KSSFIOAISA-N. The full InChI is InChI=1S/C20H29N3O/c1-7-18(17-12-10-9-11-13-17)23(8-2)20(24)14(3)19-15(4)21-22(6)16(19)5/h9-14,18H,7-8H2,1-6H3/t14-,18-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 327.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95592132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).