2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one

C16H19N5O — CID 11709165

IUPAC2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(CC(C)C)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C16H19N5O/c1-10(2)9-21-16(22)13-7-5-4-6-12(13)15(20-21)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeySNLGNBKBVNOLQN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.83
Rot. Bonds4

About 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one

2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11709165) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11709165
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(CC(C)C)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C16H19N5O/c1-10(2)9-21-16(22)13-7-5-4-6-12(13)15(20-21)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeySNLGNBKBVNOLQN-UHFFFAOYSA-N
XLogP2.83
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330943
Pha-533533
CID 5330949
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
3-Aminopyrazole deriv. 15
CID 5330951
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
(2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanamide
CID 5330955
3-Aminopyrazole deriv. 27
CID 5330961
3-Aminopyrazole deriv. 28
CID 5330962
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11709165) is 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is Cc1cc(Nc2nn(CC(C)C)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is SNLGNBKBVNOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(2)9-21-16(22)13-7-5-4-6-12(13)15(20-21)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one has a molecular weight of 297.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11709165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).