(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone

C16H19N3O — CID 136579737

IUPAC(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(c3ccccc3)C2)n[nH]1
InChIInChI=1S/C16H19N3O/c1-2-14-10-15(18-17-14)16(20)19-9-8-13(11-19)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,17,18)
InChIKeyMPDVCGFZBPGVQE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.60
Rot. Bonds3

About (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone

(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 136579737) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID136579737
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(c3ccccc3)C2)n[nH]1
InChIInChI=1S/C16H19N3O/c1-2-14-10-15(18-17-14)16(20)19-9-8-13(11-19)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,17,18)
InChIKeyMPDVCGFZBPGVQE-UHFFFAOYSA-N
XLogP2.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 124569564
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120747957
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872040
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479436
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 136579737) is (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone is CCc1cc(C(=O)N2CCC(c3ccccc3)C2)n[nH]1.
What is the InChIKey of (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is MPDVCGFZBPGVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-14-10-15(18-17-14)16(20)19-9-8-13(11-19)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,17,18).
What are the key properties of (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 136579737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).