N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide

C19H26N4O3 — CID 4884785

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide
SMILESCc1c(NC(=O)C(C)NCC2CCCO2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O3/c1-13(20-12-16-10-7-11-26-16)18(24)21-17-14(2)22(3)23(19(17)25)15-8-5-4-6-9-15/h4-6,8-9,13,16,20H,7,10-12H2,1-3H3,(H,21,24)
InChIKeyHUCRMEGWVILSTP-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.58
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide (PubChem CID 4884785) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide
PubChem CID4884785
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide
SMILESCc1c(NC(=O)C(C)NCC2CCCO2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O3/c1-13(20-12-16-10-7-11-26-16)18(24)21-17-14(2)22(3)23(19(17)25)15-8-5-4-6-9-15/h4-6,8-9,13,16,20H,7,10-12H2,1-3H3,(H,21,24)
InChIKeyHUCRMEGWVILSTP-UHFFFAOYSA-N
XLogP1.58
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide (CID 4884785) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide is Cc1c(NC(=O)C(C)NCC2CCCO2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide?
The InChIKey is HUCRMEGWVILSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(20-12-16-10-7-11-26-16)18(24)21-17-14(2)22(3)23(19(17)25)15-8-5-4-6-9-15/h4-6,8-9,13,16,20H,7,10-12H2,1-3H3,(H,21,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide has a molecular weight of 358.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 4884785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).