N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide

C15H27N5O3S — CID 91923217

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C
InChIInChI=1S/C15H27N5O3S/c1-10-14(11(2)19(5)17-10)15(21)16-13-9-20(24(6,22)23)8-12(13)7-18(3)4/h12-13H,7-9H2,1-6H3,(H,16,21)/t12-,13-/m1/s1
InChIKeyLZKRCAPJHKXONT-CHWSQXEVSA-N
MW357.48 g/mol
LogP-0.41
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 91923217) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID91923217
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C
InChIInChI=1S/C15H27N5O3S/c1-10-14(11(2)19(5)17-10)15(21)16-13-9-20(24(6,22)23)8-12(13)7-18(3)4/h12-13H,7-9H2,1-6H3,(H,16,21)/t12-,13-/m1/s1
InChIKeyLZKRCAPJHKXONT-CHWSQXEVSA-N
XLogP-0.41
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 91923217) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is LZKRCAPJHKXONT-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-10-14(11(2)19(5)17-10)15(21)16-13-9-20(24(6,22)23)8-12(13)7-18(3)4/h12-13H,7-9H2,1-6H3,(H,16,21)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 91923217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).