[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C22H25N5O2 — CID 90507778

IUPAC[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1
InChIInChI=1S/C22H25N5O2/c1-16-21(17(2)27(24-16)20-10-6-7-11-23-20)25-12-14-26(15-13-25)22(28)18-8-4-5-9-19(18)29-3/h4-11H,12-15H2,1-3H3
InChIKeyXDWCBAOULYDPCA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.86
Rot. Bonds4

About [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 90507778) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID90507778
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1
InChIInChI=1S/C22H25N5O2/c1-16-21(17(2)27(24-16)20-10-6-7-11-23-20)25-12-14-26(15-13-25)22(28)18-8-4-5-9-19(18)29-3/h4-11H,12-15H2,1-3H3
InChIKeyXDWCBAOULYDPCA-UHFFFAOYSA-N
XLogP2.86
TPSA63.49 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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 90506631
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 90507795
N-(3,4-dimethoxyphenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508100
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 90507927
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90507722
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508088
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
1,3-benzothiazol-6-yl-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90507729
3-cyclopentyl-1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90507766
N-(2-chlorophenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508111
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 90507835

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 90507778) is [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1.
What is the InChIKey of [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is XDWCBAOULYDPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-21(17(2)27(24-16)20-10-6-7-11-23-20)25-12-14-26(15-13-25)22(28)18-8-4-5-9-19(18)29-3/h4-11H,12-15H2,1-3H3.
What are the key properties of [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 391.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 90507778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).