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

C22H25N5O2 — CID 95822802

IUPAC(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(Oc2nccnc2C2CCN(C(=O)c3cn(C)nc3C)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-15-5-4-6-18(13-15)29-21-20(23-9-10-24-21)17-7-11-27(12-8-17)22(28)19-14-26(3)25-16(19)2/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3
InChIKeyJYKRPXKMSZDMHB-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.64
Rot. Bonds4

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

(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95822802) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95822802
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(Oc2nccnc2C2CCN(C(=O)c3cn(C)nc3C)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-15-5-4-6-18(13-15)29-21-20(23-9-10-24-21)17-7-11-27(12-8-17)22(28)19-14-26(3)25-16(19)2/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3
InChIKeyJYKRPXKMSZDMHB-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

2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 129458305
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110091053
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
[2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150630
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656949
[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95822457
2-methyl-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 175656534
3-methoxy-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256428
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95822802) is (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cn(C)nc3C)CC2)c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is JYKRPXKMSZDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-5-4-6-18(13-15)29-21-20(23-9-10-24-21)17-7-11-27(12-8-17)22(28)19-14-26(3)25-16(19)2/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-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 (1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95822802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).