[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C22H21FN8O — CID 122339011

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C22H21FN8O/c1-28-19(15-18(27-28)16-3-5-17(23)6-4-16)22(32)30-13-11-29(12-14-30)20-7-8-21(26-25-20)31-10-2-9-24-31/h2-10,15H,11-14H2,1H3
InChIKeyFNFJOUAXWUSJHY-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.16
Rot. Bonds4

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122339011) has the molecular formula C22H21FN8O and a molecular weight of 432.46 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122339011
Molecular FormulaC22H21FN8O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C22H21FN8O/c1-28-19(15-18(27-28)16-3-5-17(23)6-4-16)22(32)30-13-11-29(12-14-30)20-7-8-21(26-25-20)31-10-2-9-24-31/h2-10,15H,11-14H2,1H3
InChIKeyFNFJOUAXWUSJHY-UHFFFAOYSA-N
XLogP2.16
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341598
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122351406
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91818384
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349110
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336996
2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 122338958
3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122292068
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42758562
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 122351720
(1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347352
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345960
(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146094

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122339011) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is FNFJOUAXWUSJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O/c1-28-19(15-18(27-28)16-3-5-17(23)6-4-16)22(32)30-13-11-29(12-14-30)20-7-8-21(26-25-20)31-10-2-9-24-31/h2-10,15H,11-14H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 432.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122339011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).