N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide

C19H26N4O4S — CID 112843813

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCc1c(NC(=O)CCCS(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O4S/c1-15-18(19(25)23(21(15)2)16-9-4-3-5-10-16)20-17(24)11-8-14-28(26,27)22-12-6-7-13-22/h3-5,9-10H,6-8,11-14H2,1-2H3,(H,20,24)
InChIKeyKELMKBXZBKBDGG-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.63
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112843813) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112843813
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCc1c(NC(=O)CCCS(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O4S/c1-15-18(19(25)23(21(15)2)16-9-4-3-5-10-16)20-17(24)11-8-14-28(26,27)22-12-6-7-13-22/h3-5,9-10H,6-8,11-14H2,1-2H3,(H,20,24)
InChIKeyKELMKBXZBKBDGG-UHFFFAOYSA-N
XLogP1.63
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 4857987
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
7-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptanamide;hydrochloride
CID 119669086
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azocane-1-carbothioamide
CID 23771135
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-morpholin-4-ylpropylamino)acetamide
CID 4636553
(3S)-1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 39877381
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2992617
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanamide
CID 98148996
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide
CID 23853815
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112843813) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide is Cc1c(NC(=O)CCCS(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is KELMKBXZBKBDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-18(19(25)23(21(15)2)16-9-4-3-5-10-16)20-17(24)11-8-14-28(26,27)22-12-6-7-13-22/h3-5,9-10H,6-8,11-14H2,1-2H3,(H,20,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 406.51 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112843813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).