N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide

C23H23N5O2 — CID 55813894

IUPACN,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H23N5O2/c1-27(14-8-11-17-15-20(25-24-17)16-9-4-3-5-10-16)23(30)21-18-12-6-7-13-19(18)22(29)28(2)26-21/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3,(H,24,25)
InChIKeyKNTMWZHZUSCKRD-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.03
Rot. Bonds6

About N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide

N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide (PubChem CID 55813894) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
PubChem CID55813894
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H23N5O2/c1-27(14-8-11-17-15-20(25-24-17)16-9-4-3-5-10-16)23(30)21-18-12-6-7-13-19(18)22(29)28(2)26-21/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3,(H,24,25)
InChIKeyKNTMWZHZUSCKRD-UHFFFAOYSA-N
XLogP3.03
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide?
The IUPAC name of N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide (CID 55813894) is N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide?
The canonical SMILES for N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide?
The InChIKey is KNTMWZHZUSCKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27(14-8-11-17-15-20(25-24-17)16-9-4-3-5-10-16)23(30)21-18-12-6-7-13-19(18)22(29)28(2)26-21/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3,(H,24,25).
What are the key properties of N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide?
N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide is sourced from PubChem (CID 55813894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).