(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide

C19H26N4O3 — CID 2533709

IUPAC(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide
SMILESCc1c(NC(=O)[C@H](C)NC[C@@H]2CCCO2)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)/t13-,16-/m0/s1
InChIKeyHUCRMEGWVILSTP-BBRMVZONSA-N
MW358.44 g/mol
LogP1.58
Rot. Bonds6

About (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide

(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide (PubChem CID 2533709) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide
PubChem CID2533709
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide
SMILESCc1c(NC(=O)[C@H](C)NC[C@@H]2CCCO2)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)/t13-,16-/m0/s1
InChIKeyHUCRMEGWVILSTP-BBRMVZONSA-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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Related Compounds

[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2533705
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 42923993
(2S)-2-[[5-(4-chlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 2388694
2-(2,3-dimethylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 51224570
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 71902660
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24686742
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
2-[[5-cyclopropyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 19726671
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide;oxalic acid
CID 71902659
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide?
The IUPAC name of (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide (CID 2533709) is (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide?
The canonical SMILES for (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide is Cc1c(NC(=O)[C@H](C)NC[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide?
The InChIKey is HUCRMEGWVILSTP-BBRMVZONSA-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)/t13-,16-/m0/s1.
What are the key properties of (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide?
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]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 (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide is sourced from PubChem (CID 2533709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).