N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide

C13H11N5O2 — CID 43429946

IUPACN-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCn1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)cn1
InChIInChI=1S/C13H11N5O2/c1-18-7-8(6-14-18)15-13(20)11-9-4-2-3-5-10(9)12(19)17-16-11/h2-7H,1H3,(H,15,20)(H,17,19)
InChIKeyCRZYJJUCJOAATJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.91
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide

N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 43429946) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID43429946
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCn1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)cn1
InChIInChI=1S/C13H11N5O2/c1-18-7-8(6-14-18)15-13(20)11-9-4-2-3-5-10(9)12(19)17-16-11/h2-7H,1H3,(H,15,20)(H,17,19)
InChIKeyCRZYJJUCJOAATJ-UHFFFAOYSA-N
XLogP0.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide (CID 43429946) is N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide is Cn1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is CRZYJJUCJOAATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-18-7-8(6-14-18)15-13(20)11-9-4-2-3-5-10(9)12(19)17-16-11/h2-7H,1H3,(H,15,20)(H,17,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 43429946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).