N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide

C19H26N4O3 — CID 51135422

IUPACN-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide
SMILESCc1c(NC(=O)CNC(=O)CCC(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O3/c1-13(2)10-11-16(24)20-12-17(25)21-18-14(3)22(4)23(19(18)26)15-8-6-5-7-9-15/h5-9,13H,10-12H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyMTEOKOTYLLMHCV-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.98
Rot. Bonds7

About N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide

N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide (PubChem CID 51135422) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide
PubChem CID51135422
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide
SMILESCc1c(NC(=O)CNC(=O)CCC(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O3/c1-13(2)10-11-16(24)20-12-17(25)21-18-14(3)22(4)23(19(18)26)15-8-6-5-7-9-15/h5-9,13H,10-12H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyMTEOKOTYLLMHCV-UHFFFAOYSA-N
XLogP1.98
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
CID 119261471
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827697
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
7-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptanamide;hydrochloride
CID 119669086
N-[5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpentanamide
CID 43027916
3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 56526973
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide
CID 4169686
3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 16574621

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide (CID 51135422) is N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide is Cc1c(NC(=O)CNC(=O)CCC(C)C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide?
The InChIKey is MTEOKOTYLLMHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)10-11-16(24)20-12-17(25)21-18-14(3)22(4)23(19(18)26)15-8-6-5-7-9-15/h5-9,13H,10-12H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide?
N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide has a molecular weight of 358.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 51135422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).