[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C14H24N4O — CID 70770221

IUPAC[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1N(C)C
InChIInChI=1S/C14H24N4O/c1-5-6-11-9-18(10-13(11)16(2)3)14(19)12-7-15-17(4)8-12/h7-8,11,13H,5-6,9-10H2,1-4H3/t11-,13-/m1/s1
InChIKeyQOHQKWFPZGCQSE-DGCLKSJQSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds4

About [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 70770221) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID70770221
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1N(C)C
InChIInChI=1S/C14H24N4O/c1-5-6-11-9-18(10-13(11)16(2)3)14(19)12-7-15-17(4)8-12/h7-8,11,13H,5-6,9-10H2,1-4H3/t11-,13-/m1/s1
InChIKeyQOHQKWFPZGCQSE-DGCLKSJQSA-N
XLogP1.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56780194
N-{rel-(3R,4S)-4-cyclopropyl-1-[3-(methylthio)propyl]-3-pyrrolidinyl}-1-methyl-1H-pyrazole-4-carboxamide hydrochloride
CID 72907256
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
2-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72839161
N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921372
4-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 91921477
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
(1S,11R)-2-(1-methylpyrazole-4-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199290
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 25367596

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 70770221) is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CCC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is QOHQKWFPZGCQSE-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-6-11-9-18(10-13(11)16(2)3)14(19)12-7-15-17(4)8-12/h7-8,11,13H,5-6,9-10H2,1-4H3/t11-,13-/m1/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 70770221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).