N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C20H25N5O2 — CID 70722037

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(=O)c2ccccc12
InChIInChI=1S/C20H25N5O2/c1-13-15-8-6-7-9-16(15)19(27)25(23-13)12-18(26)24(5)11-14-10-17(22-21-14)20(2,3)4/h6-10H,11-12H2,1-5H3,(H,21,22)
InChIKeyNFDZQNRFQZPMLR-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.38
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 70722037) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID70722037
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(=O)c2ccccc12
InChIInChI=1S/C20H25N5O2/c1-13-15-8-6-7-9-16(15)19(27)25(23-13)12-18(26)24(5)11-14-10-17(22-21-14)20(2,3)4/h6-10H,11-12H2,1-5H3,(H,21,22)
InChIKeyNFDZQNRFQZPMLR-UHFFFAOYSA-N
XLogP2.38
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
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3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 70722037) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(=O)c2ccccc12.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is NFDZQNRFQZPMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-15-8-6-7-9-16(15)19(27)25(23-13)12-18(26)24(5)11-14-10-17(22-21-14)20(2,3)4/h6-10H,11-12H2,1-5H3,(H,21,22).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 70722037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).