N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C11H18N4O3S — CID 54896571

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-8-9(7-13-14-8)6-12-11(16)10-4-3-5-15(10)19(2,17)18/h7,10H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyVPFXJHBEMDLVHS-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.24
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 54896571) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID54896571
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-8-9(7-13-14-8)6-12-11(16)10-4-3-5-15(10)19(2,17)18/h7,10H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyVPFXJHBEMDLVHS-UHFFFAOYSA-N
XLogP-0.24
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazole-4-carboxamide
CID 91911094
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 164631667
2,2,2-trifluoroethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 53588608
(2S,3R)-2-amino-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylpentan-1-one
CID 127045828
(4R)-N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411241
(4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411251
(4S)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411255
1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 141411275
N-methyl-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 174771124
N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43663767
N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide
CID 43675104

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 54896571) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1[nH]ncc1CNC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is VPFXJHBEMDLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-9(7-13-14-8)6-12-11(16)10-4-3-5-15(10)19(2,17)18/h7,10H,3-6H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54896571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).