3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

C18H30N4O3S — CID 91910339

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)n1
InChIInChI=1S/C18H30N4O3S/c1-14-12-15(2)22(19-14)11-7-18(23)20-8-4-17(13-20)16-5-9-21(10-6-16)26(3,24)25/h12,16-17H,4-11,13H2,1-3H3
InChIKeyOFJVDKBDRFHFAR-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.41
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 91910339) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID91910339
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)n1
InChIInChI=1S/C18H30N4O3S/c1-14-12-15(2)22(19-14)11-7-18(23)20-8-4-17(13-20)16-5-9-21(10-6-16)26(3,24)25/h12,16-17H,4-11,13H2,1-3H3
InChIKeyOFJVDKBDRFHFAR-UHFFFAOYSA-N
XLogP1.41
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-YL}ethan-1-one
CID 124074214
1-(methylsulfonyl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}piperidine-4-carboxamide
CID 17022949
N-[3-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53625103
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)ethanone
CID 45505384
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49738354
4-[1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]-1-methanesulfonylpiperidine
CID 91910310
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}propanamide
CID 91911017
1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91921428
2-(3-methyl-1H-pyrazol-1-yl)-1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-1-ethanone
CID 91921486
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-YL}propan-1-one
CID 124044308
1-[3-(1-Acetylpiperidin-4-YL)pyrrolidin-1-YL]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethan-1-one
CID 124062360
[1-[3-(3,5-Dimethylpyrazol-1-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676113

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (CID 91910339) is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is OFJVDKBDRFHFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-14-12-15(2)22(19-14)11-7-18(23)20-8-4-17(13-20)16-5-9-21(10-6-16)26(3,24)25/h12,16-17H,4-11,13H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 382.53 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 91910339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).