N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

C15H26N4O3S — CID 56864939

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-15(2,3)13-9-11(16-17-13)10-18(4)14(20)12-7-6-8-19(12)23(5,21)22/h9,12H,6-8,10H2,1-5H3,(H,16,17)
InChIKeyALZZUASUWGDPLW-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.09
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 56864939) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID56864939
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-15(2,3)13-9-11(16-17-13)10-18(4)14(20)12-7-6-8-19(12)23(5,21)22/h9,12H,6-8,10H2,1-5H3,(H,16,17)
InChIKeyALZZUASUWGDPLW-UHFFFAOYSA-N
XLogP1.09
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893810
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 72860237
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 70708816
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 35380970
N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 114230556
2-[ethyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62817339
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72863180
(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97272735
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56861416
(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 124815201

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (CID 56864939) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is ALZZUASUWGDPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-15(2,3)13-9-11(16-17-13)10-18(4)14(20)12-7-6-8-19(12)23(5,21)22/h9,12H,6-8,10H2,1-5H3,(H,16,17).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56864939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).