(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C22H25N5O2 — CID 95822826

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)c3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-4-6-18(7-5-15)29-21-20(23-10-11-24-21)17-8-12-27(13-9-17)22(28)19-14-25-26(3)16(19)2/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3
InChIKeyOGMYQHGNEHUMRY-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.64
Rot. Bonds4

About (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95822826) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95822826
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)c3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-4-6-18(7-5-15)29-21-20(23-10-11-24-21)17-8-12-27(13-9-17)22(28)19-14-25-26(3)16(19)2/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3
InChIKeyOGMYQHGNEHUMRY-UHFFFAOYSA-N
XLogP3.64
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822817
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92618214
(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822802
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone
CID 124975201
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone
CID 124974183
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95822826) is (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cnn(C)c3C)CC2)cc1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is OGMYQHGNEHUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-4-6-18(7-5-15)29-21-20(23-10-11-24-21)17-8-12-27(13-9-17)22(28)19-14-25-26(3)16(19)2/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95822826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).