N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide

C18H15N5O3 — CID 9450575

IUPACN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccnn2Cc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O3/c1-22-18(25)14-7-3-2-6-13(14)16(21-22)17(24)20-15-8-9-19-23(15)11-12-5-4-10-26-12/h2-10H,11H2,1H3,(H,20,24)
InChIKeyCBJMSZAQTGLVFX-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 9450575) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID9450575
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccnn2Cc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O3/c1-22-18(25)14-7-3-2-6-13(14)16(21-22)17(24)20-15-8-9-19-23(15)11-12-5-4-10-26-12/h2-10H,11H2,1H3,(H,20,24)
InChIKeyCBJMSZAQTGLVFX-UHFFFAOYSA-N
XLogP2.02
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 9450575) is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2ccnn2Cc2ccco2)c2ccccc2c1=O.
What is the InChIKey of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is CBJMSZAQTGLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-22-18(25)14-7-3-2-6-13(14)16(21-22)17(24)20-15-8-9-19-23(15)11-12-5-4-10-26-12/h2-10H,11H2,1H3,(H,20,24).
What are the key properties of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9450575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).