[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

C18H20N6O — CID 172903220

IUPAC[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nnc(N2CCN(C(=O)c3cnn(C)c3)CC2)c2ccccc12
InChIInChI=1S/C18H20N6O/c1-13-15-5-3-4-6-16(15)17(21-20-13)23-7-9-24(10-8-23)18(25)14-11-19-22(2)12-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyHKVZUISYDWLCOZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.63
Rot. Bonds2

About [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 172903220) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID172903220
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nnc(N2CCN(C(=O)c3cnn(C)c3)CC2)c2ccccc12
InChIInChI=1S/C18H20N6O/c1-13-15-5-3-4-6-16(15)17(21-20-13)23-7-9-24(10-8-23)18(25)14-11-19-22(2)12-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyHKVZUISYDWLCOZ-UHFFFAOYSA-N
XLogP1.63
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 172899991
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31921028
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
(1-methylpyrazol-4-yl)-[4-(4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 172901753
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903276
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-methylpyrazol-4-yl)methanone
CID 134410819
1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone
CID 58368568

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 172903220) is [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1nnc(N2CCN(C(=O)c3cnn(C)c3)CC2)c2ccccc12.
What is the InChIKey of [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is HKVZUISYDWLCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-15-5-3-4-6-16(15)17(21-20-13)23-7-9-24(10-8-23)18(25)14-11-19-22(2)12-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 172903220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).