N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C20H23N5O3 — CID 71779551

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C20H23N5O3/c1-24-12-16(19(23-24)28-2)18(26)21-11-17-14-9-5-6-10-15(14)20(27)25(22-17)13-7-3-4-8-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,21,26)
InChIKeyDRWWVLYYLFQZEE-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.18
Rot. Bonds5

About N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 71779551) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID71779551
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C20H23N5O3/c1-24-12-16(19(23-24)28-2)18(26)21-11-17-14-9-5-6-10-15(14)20(27)25(22-17)13-7-3-4-8-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,21,26)
InChIKeyDRWWVLYYLFQZEE-UHFFFAOYSA-N
XLogP2.18
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 71779551) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is DRWWVLYYLFQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-12-16(19(23-24)28-2)18(26)21-11-17-14-9-5-6-10-15(14)20(27)25(22-17)13-7-3-4-8-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,21,26).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71779551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).