(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C20H21N5O2 — CID 122257218

IUPAC(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C20H21N5O2/c1-24-18(13-17(23-24)15-7-3-2-4-8-15)19(26)25-12-5-9-16(14-25)27-20-21-10-6-11-22-20/h2-4,6-8,10-11,13,16H,5,9,12,14H2,1H3
InChIKeyAFSFRZJMBNEPLB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.56
Rot. Bonds4

About (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122257218) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122257218
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C20H21N5O2/c1-24-18(13-17(23-24)15-7-3-2-4-8-15)19(26)25-12-5-9-16(14-25)27-20-21-10-6-11-22-20/h2-4,6-8,10-11,13,16H,5,9,12,14H2,1H3
InChIKeyAFSFRZJMBNEPLB-UHFFFAOYSA-N
XLogP2.56
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122261217
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 122259455
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 122268152
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 122258955
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 71799449
6-methyl-4-[(3R)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877849
6-methyl-4-[(3S)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877851
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 124760622
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257281
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259907

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122257218) is (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is AFSFRZJMBNEPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-18(13-17(23-24)15-7-3-2-4-8-15)19(26)25-12-5-9-16(14-25)27-20-21-10-6-11-22-20/h2-4,6-8,10-11,13,16H,5,9,12,14H2,1H3.
What are the key properties of (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122257218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).