N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C16H29N5O3S — CID 91923216

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C
InChIInChI=1S/C16H29N5O3S/c1-11-14(12(2)19-18-11)6-7-16(22)17-15-10-21(25(5,23)24)9-13(15)8-20(3)4/h13,15H,6-10H2,1-5H3,(H,17,22)(H,18,19)/t13-,15-/m1/s1
InChIKeyPDRVLDPOQFSNNN-UKRRQHHQSA-N
MW371.51 g/mol
LogP-0.10
Rot. Bonds7

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 91923216) has the molecular formula C16H29N5O3S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID91923216
Molecular FormulaC16H29N5O3S
Molecular Weight371.51 g/mol
Exact Mass371.20
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C
InChIInChI=1S/C16H29N5O3S/c1-11-14(12(2)19-18-11)6-7-16(22)17-15-10-21(25(5,23)24)9-13(15)8-20(3)4/h13,15H,6-10H2,1-5H3,(H,17,22)(H,18,19)/t13-,15-/m1/s1
InChIKeyPDRVLDPOQFSNNN-UKRRQHHQSA-N
XLogP-0.10
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56896062
N-{(3S*,4R*)-4-propyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-pyrrolidinyl}methanesulfonamide
CID 70709235
3-(3,5-Dimethyl-1H-pyrazol-4-YL)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]propan-1-one
CID 91910347
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632
(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72838660
N-{2-[(dimethylamino)sulfonyl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 72873501
(3R*,4S*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72937669
(1R*,5R*)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133124231
1-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 164630291

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 91923216) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=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]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is PDRVLDPOQFSNNN-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H29N5O3S/c1-11-14(12(2)19-18-11)6-7-16(22)17-15-10-21(25(5,23)24)9-13(15)8-20(3)4/h13,15H,6-10H2,1-5H3,(H,17,22)(H,18,19)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 371.51 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 91923216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).