(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone

C17H18N6O — CID 71986216

IUPAC(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3nncc4ccccc34)CC2)cn1
InChIInChI=1S/C17H18N6O/c1-21-12-14(11-19-21)17(24)23-8-6-22(7-9-23)16-15-5-3-2-4-13(15)10-18-20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyUJSSGDRBCZGNDX-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.33
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone

(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone (PubChem CID 71986216) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
PubChem CID71986216
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3nncc4ccccc34)CC2)cn1
InChIInChI=1S/C17H18N6O/c1-21-12-14(11-19-21)17(24)23-8-6-22(7-9-23)16-15-5-3-2-4-13(15)10-18-20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyUJSSGDRBCZGNDX-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220
(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986226
N-tert-butyl-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747634
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 78899109
(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
methyl 4-oxo-4-(4-phthalazin-1-ylpiperazin-1-yl)butanoate
CID 110715617
N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747636
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71998367
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 11464443

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone (CID 71986216) is (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone is Cn1cc(C(=O)N2CCN(c3nncc4ccccc34)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The InChIKey is UJSSGDRBCZGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-21-12-14(11-19-21)17(24)23-8-6-22(7-9-23)16-15-5-3-2-4-13(15)10-18-20-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71986216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).