N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

C17H22N6O4S — CID 91629332

IUPACN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCNC(=O)N1CCN(S(C)(=O)=O)C1=O
InChIInChI=1S/C17H22N6O4S/c1-12-14(13(2)23(20-12)15-6-4-5-8-18-15)7-9-19-16(24)21-10-11-22(17(21)25)28(3,26)27/h4-6,8H,7,9-11H2,1-3H3,(H,19,24)
InChIKeyDINSRLBEFMCTMB-UHFFFAOYSA-N
MW406.47 g/mol
LogP0.83
Rot. Bonds5

About N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 91629332) has the molecular formula C17H22N6O4S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
PubChem CID91629332
Molecular FormulaC17H22N6O4S
Molecular Weight406.47 g/mol
Exact Mass406.14
IUPAC NameN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCNC(=O)N1CCN(S(C)(=O)=O)C1=O
InChIInChI=1S/C17H22N6O4S/c1-12-14(13(2)23(20-12)15-6-4-5-8-18-15)7-9-19-16(24)21-10-11-22(17(21)25)28(3,26)27/h4-6,8H,7,9-11H2,1-3H3,(H,19,24)
InChIKeyDINSRLBEFMCTMB-UHFFFAOYSA-N
XLogP0.83
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
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4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(3-phenylpropyl)piperazine-1-carboxamide
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4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962758
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120833599
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
CID 120834049
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CID 84613542
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2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843469
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 138993196
(3aS,6aR)-5-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846063

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (CID 91629332) is N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)N1CCN(S(C)(=O)=O)C1=O.
What is the InChIKey of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is DINSRLBEFMCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4S/c1-12-14(13(2)23(20-12)15-6-4-5-8-18-15)7-9-19-16(24)21-10-11-22(17(21)25)28(3,26)27/h4-6,8H,7,9-11H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 91629332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).