N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

C19H25N5O2 — CID 87039966

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1
InChIInChI=1S/C19H25N5O2/c1-4-22-8-10-23(11-9-22)19(26)18(25)20-16-6-5-7-17(13-16)24-15(3)12-14(2)21-24/h5-7,12-13H,4,8-11H2,1-3H3,(H,20,25)
InChIKeySWNCCTRANJKZEI-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.59
Rot. Bonds3

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 87039966) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
PubChem CID87039966
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1
InChIInChI=1S/C19H25N5O2/c1-4-22-8-10-23(11-9-22)19(26)18(25)20-16-6-5-7-17(13-16)24-15(3)12-14(2)21-24/h5-7,12-13H,4,8-11H2,1-3H3,(H,20,25)
InChIKeySWNCCTRANJKZEI-UHFFFAOYSA-N
XLogP1.59
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126773025
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790628
2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56580511
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (CID 87039966) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is CCN1CCN(C(=O)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is SWNCCTRANJKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-22-8-10-23(11-9-22)19(26)18(25)20-16-6-5-7-17(13-16)24-15(3)12-14(2)21-24/h5-7,12-13H,4,8-11H2,1-3H3,(H,20,25).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 355.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 87039966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).