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

C13H23N5O3S — CID 91911022

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1cnn(C)c1
InChIInChI=1S/C13H23N5O3S/c1-16(2)6-11-8-18(22(4,20)21)9-12(11)15-13(19)10-5-14-17(3)7-10/h5,7,11-12H,6,8-9H2,1-4H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyDNHQNWWLFLNXKP-VXGBXAGGSA-N
MW329.43 g/mol
LogP-1.03
Rot. Bonds5

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

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 91911022) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID91911022
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1cnn(C)c1
InChIInChI=1S/C13H23N5O3S/c1-16(2)6-11-8-18(22(4,20)21)9-12(11)15-13(19)10-5-14-17(3)7-10/h5,7,11-12H,6,8-9H2,1-4H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyDNHQNWWLFLNXKP-VXGBXAGGSA-N
XLogP-1.03
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 91911022) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide is CN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1cnn(C)c1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DNHQNWWLFLNXKP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-16(2)6-11-8-18(22(4,20)21)9-12(11)15-13(19)10-5-14-17(3)7-10/h5,7,11-12H,6,8-9H2,1-4H3,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of -1.03, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 91911022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).