[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C19H19N5O — CID 53185286

IUPAC[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C19H19N5O/c25-19(18-12-20-8-9-21-18)24-10-4-7-15(13-24)17-11-16(22-23-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,22,23)
InChIKeyMRWDXGGZYWRRBJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.89
Rot. Bonds3

About [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53185286) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53185286
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C19H19N5O/c25-19(18-12-20-8-9-21-18)24-10-4-7-15(13-24)17-11-16(22-23-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,22,23)
InChIKeyMRWDXGGZYWRRBJ-UHFFFAOYSA-N
XLogP2.89
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364
(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95107346
(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 53185291
(4-fluoro-2-methylphenyl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141288566
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
N-[[4-[3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166411939
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 53185286) is [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC(c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is MRWDXGGZYWRRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(18-12-20-8-9-21-18)24-10-4-7-15(13-24)17-11-16(22-23-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,15H,4,7,10,13H2,(H,22,23).
What are the key properties of [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53185286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).