(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C20H23N5O — CID 53185291

IUPAC(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C20H23N5O/c1-2-25-19(10-11-21-25)20(26)24-12-6-9-16(14-24)18-13-17(22-23-18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3,(H,22,23)
InChIKeyYZMWPMZYNGDUIW-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.31
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53185291) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID53185291
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C20H23N5O/c1-2-25-19(10-11-21-25)20(26)24-12-6-9-16(14-24)18-13-17(22-23-18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3,(H,22,23)
InChIKeyYZMWPMZYNGDUIW-UHFFFAOYSA-N
XLogP3.31
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95107346
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53185286
(4-fluoro-2-methylphenyl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141288566
N-[[4-[3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166411939
[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
(2-ethylpyrazol-3-yl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918529
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 53185294
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 53185291) is (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YZMWPMZYNGDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-25-19(10-11-21-25)20(26)24-12-6-9-16(14-24)18-13-17(22-23-18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3,(H,22,23).
What are the key properties of (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53185291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).