[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

C14H24N4O — CID 99961743

IUPAC[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCN(CC)[C@@H]1CCN(C(=O)c2ccnn2CC)C1
InChIInChI=1S/C14H24N4O/c1-4-16(5-2)12-8-10-17(11-12)14(19)13-7-9-15-18(13)6-3/h7,9,12H,4-6,8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyOEAQYZWSVYDXPN-GFCCVEGCSA-N
MW264.37 g/mol
LogP1.46
Rot. Bonds5

About [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 99961743) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID99961743
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCN(CC)[C@@H]1CCN(C(=O)c2ccnn2CC)C1
InChIInChI=1S/C14H24N4O/c1-4-16(5-2)12-8-10-17(11-12)14(19)13-7-9-15-18(13)6-3/h7,9,12H,4-6,8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyOEAQYZWSVYDXPN-GFCCVEGCSA-N
XLogP1.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide
CID 110246499
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56899449
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
(2-ethylpyrazol-3-yl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97156808
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
(2-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166616429
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 99961743) is [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCN(CC)[C@@H]1CCN(C(=O)c2ccnn2CC)C1.
What is the InChIKey of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is OEAQYZWSVYDXPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-16(5-2)12-8-10-17(11-12)14(19)13-7-9-15-18(13)6-3/h7,9,12H,4-6,8,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 99961743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).