(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone

C23H21N7O — CID 121058422

IUPAC(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C23H21N7O/c31-23(21-15-20(26-27-21)17-5-2-1-3-6-17)30-13-11-29(12-14-30)22-9-8-19(25-28-22)18-7-4-10-24-16-18/h1-10,15-16H,11-14H2,(H,26,27)
InChIKeyPRTBVPLYHXLNIU-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.89
Rot. Bonds4

About (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone

(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058422) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058422
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C23H21N7O/c31-23(21-15-20(26-27-21)17-5-2-1-3-6-17)30-13-11-29(12-14-30)22-9-8-19(25-28-22)18-7-4-10-24-16-18/h1-10,15-16H,11-14H2,(H,26,27)
InChIKeyPRTBVPLYHXLNIU-UHFFFAOYSA-N
XLogP2.89
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058362
[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 121059960
(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087828
4-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 53087822
[4-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087831
3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71961516
[(3R)-4-methyl-3-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125026740
1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 53087851
[3-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087830

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058422) is (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is PRTBVPLYHXLNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-23(21-15-20(26-27-21)17-5-2-1-3-6-17)30-13-11-29(12-14-30)22-9-8-19(25-28-22)18-7-4-10-24-16-18/h1-10,15-16H,11-14H2,(H,26,27).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 411.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).