[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone

C16H25FN4O — CID 164634702

IUPAC[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(CN2CCC[C@@](F)(C(=O)N3CCCC3)C2)cnn1C
InChIInChI=1S/C16H25FN4O/c1-13-14(10-18-19(13)2)11-20-7-5-6-16(17,12-20)15(22)21-8-3-4-9-21/h10H,3-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyXMJINXXVSMNPOY-INIZCTEOSA-N
MW308.40 g/mol
LogP1.66
Rot. Bonds3

About [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 164634702) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID164634702
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(CN2CCC[C@@](F)(C(=O)N3CCCC3)C2)cnn1C
InChIInChI=1S/C16H25FN4O/c1-13-14(10-18-19(13)2)11-20-7-5-6-16(17,12-20)15(22)21-8-3-4-9-21/h10H,3-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyXMJINXXVSMNPOY-INIZCTEOSA-N
XLogP1.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone 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

1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
[1-[(1,5-Dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110249131
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203994
(1S,11R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199417
(1-Tert-butyl-3-methylpyrazol-4-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 137982183
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 164629294
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 164630775
(3S)-N-(cyclopropylmethyl)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-fluoropiperidine-3-carboxamide
CID 164635298
(2,2-Difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 122485277

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 164634702) is [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1c(CN2CCC[C@@](F)(C(=O)N3CCCC3)C2)cnn1C.
What is the InChIKey of [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XMJINXXVSMNPOY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-13-14(10-18-19(13)2)11-20-7-5-6-16(17,12-20)15(22)21-8-3-4-9-21/h10H,3-9,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 308.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 164634702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).