N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide

C17H23N4O3+ — CID 4169686

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1c(NC(=O)C[NH+]2CCOCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H22N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,22)/p+1
InChIKeyFZXFDPBYIPMDIK-UHFFFAOYSA-O
MW331.40 g/mol
LogP-0.66
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 4169686) has the molecular formula C17H23N4O3+ and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID4169686
Molecular FormulaC17H23N4O3+
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1c(NC(=O)C[NH+]2CCOCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H22N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,22)/p+1
InChIKeyFZXFDPBYIPMDIK-UHFFFAOYSA-O
XLogP-0.66
TPSA69.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2351322
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CID 4636553
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CID 1412018
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CID 23853815
N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide
CID 51135422
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
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CID 4117225
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CID 119261471
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902509
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide (CID 4169686) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide is Cc1c(NC(=O)C[NH+]2CCOCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is FZXFDPBYIPMDIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,22)/p+1.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 331.40 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 4169686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).