N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide

C17H22N4O4 — CID 155957335

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(=O)[nH]n1C
InChIInChI=1S/C17H22N4O4/c1-4-9-21(17(24)13-10-15(22)19-20(13)2)11-16(23)18-12-7-5-6-8-14(12)25-3/h5-8,10H,4,9,11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyPMJHEIPDCLOGKZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.21
Rot. Bonds7

About N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide (PubChem CID 155957335) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide
PubChem CID155957335
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(=O)[nH]n1C
InChIInChI=1S/C17H22N4O4/c1-4-9-21(17(24)13-10-15(22)19-20(13)2)11-16(23)18-12-7-5-6-8-14(12)25-3/h5-8,10H,4,9,11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyPMJHEIPDCLOGKZ-UHFFFAOYSA-N
XLogP1.21
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
2-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 49318199
2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8786909
2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 166204006
N-(2-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 9200820
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 25162663

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide (CID 155957335) is N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(=O)[nH]n1C.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is PMJHEIPDCLOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-4-9-21(17(24)13-10-15(22)19-20(13)2)11-16(23)18-12-7-5-6-8-14(12)25-3/h5-8,10H,4,9,11H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155957335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).