N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide

C19H21N5O2 — CID 20919689

IUPACN-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(C(C)C(=O)NC2CC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C19H21N5O2/c1-11-16-12(2)23(15-7-5-4-6-8-15)22-17(16)19(26)24(21-11)13(3)18(25)20-14-9-10-14/h4-8,13-14H,9-10H2,1-3H3,(H,20,25)
InChIKeyZZDDYJJMXXMYQV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.04
Rot. Bonds4

About N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide

N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (PubChem CID 20919689) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
PubChem CID20919689
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(C(C)C(=O)NC2CC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C19H21N5O2/c1-11-16-12(2)23(15-7-5-4-6-8-15)22-17(16)19(26)24(21-11)13(3)18(25)20-14-9-10-14/h4-8,13-14H,9-10H2,1-3H3,(H,20,25)
InChIKeyZZDDYJJMXXMYQV-UHFFFAOYSA-N
XLogP2.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (CID 20919689) is N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide is Cc1nn(C(C)C(=O)NC2CC2)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The InChIKey is ZZDDYJJMXXMYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-16-12(2)23(15-7-5-4-6-8-15)22-17(16)19(26)24(21-11)13(3)18(25)20-14-9-10-14/h4-8,13-14H,9-10H2,1-3H3,(H,20,25).
What are the key properties of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide is sourced from PubChem (CID 20919689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).