N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide

C16H17N5O3 — CID 70780711

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCOCc1cc(CNC(=O)Cn2ncc3ccccc3c2=O)[nH]n1
InChIInChI=1S/C16H17N5O3/c1-24-10-13-6-12(19-20-13)8-17-15(22)9-21-16(23)14-5-3-2-4-11(14)7-18-21/h2-7H,8-10H2,1H3,(H,17,22)(H,19,20)
InChIKeyWGMNALUOJFXTEO-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.58
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 70780711) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID70780711
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCOCc1cc(CNC(=O)Cn2ncc3ccccc3c2=O)[nH]n1
InChIInChI=1S/C16H17N5O3/c1-24-10-13-6-12(19-20-13)8-17-15(22)9-21-16(23)14-5-3-2-4-11(14)7-18-21/h2-7H,8-10H2,1H3,(H,17,22)(H,19,20)
InChIKeyWGMNALUOJFXTEO-UHFFFAOYSA-N
XLogP0.58
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 70780711) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide is COCc1cc(CNC(=O)Cn2ncc3ccccc3c2=O)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is WGMNALUOJFXTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-24-10-13-6-12(19-20-13)8-17-15(22)9-21-16(23)14-5-3-2-4-11(14)7-18-21/h2-7H,8-10H2,1H3,(H,17,22)(H,19,20).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 70780711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).