2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one

C19H19N3O3 — CID 110106509

IUPAC2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C19H19N3O3/c23-16-11-18(25-17-6-2-1-5-15(16)17)19(24)22-9-3-4-13(12-22)10-14-7-8-20-21-14/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,20,21)
InChIKeyYVPRCVVEEFYAIC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds3

About 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one

2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one (PubChem CID 110106509) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one
PubChem CID110106509
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C19H19N3O3/c23-16-11-18(25-17-6-2-1-5-15(16)17)19(24)22-9-3-4-13(12-22)10-14-7-8-20-21-14/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,20,21)
InChIKeyYVPRCVVEEFYAIC-UHFFFAOYSA-N
XLogP2.61
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 166615463
3-[2-oxo-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 125023822
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125013112
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one (CID 110106509) is 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCCC(Cc2ccn[nH]2)C1.
What is the InChIKey of 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The InChIKey is YVPRCVVEEFYAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-16-11-18(25-17-6-2-1-5-15(16)17)19(24)22-9-3-4-13(12-22)10-14-7-8-20-21-14/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,20,21).
What are the key properties of 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one has a molecular weight of 337.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 110106509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).