(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone

C22H23N5O4 — CID 53087828

IUPAC(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1
InChIInChI=1S/C22H23N5O4/c1-30-17-10-16(11-18(12-17)31-2)21(28)26-6-8-27(9-7-26)22(29)20-13-19(24-25-20)15-4-3-5-23-14-15/h3-5,10-14H,6-9H2,1-2H3,(H,24,25)
InChIKeyWUATVBBBIVFLBF-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.09
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 53087828) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID53087828
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1
InChIInChI=1S/C22H23N5O4/c1-30-17-10-16(11-18(12-17)31-2)21(28)26-6-8-27(9-7-26)22(29)20-13-19(24-25-20)15-4-3-5-23-14-15/h3-5,10-14H,6-9H2,1-2H3,(H,24,25)
InChIKeyWUATVBBBIVFLBF-UHFFFAOYSA-N
XLogP2.09
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087835
[4-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087831
4-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 53087822
[3-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087830
(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 166328912
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 53087851

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone (CID 53087828) is (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WUATVBBBIVFLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-30-17-10-16(11-18(12-17)31-2)21(28)26-6-8-27(9-7-26)22(29)20-13-19(24-25-20)15-4-3-5-23-14-15/h3-5,10-14H,6-9H2,1-2H3,(H,24,25).
What are the key properties of (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 421.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53087828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).