N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide

C26H21N5O2 — CID 24610550

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C26H21N5O2/c32-25-22-14-8-7-13-21(22)24(28-29-25)26(33)27-15-20-17-31(16-18-9-3-1-4-10-18)30-23(20)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,27,33)(H,29,32)
InChIKeyGPSKRCGBTSTMSE-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.76
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 24610550) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID24610550
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C26H21N5O2/c32-25-22-14-8-7-13-21(22)24(28-29-25)26(33)27-15-20-17-31(16-18-9-3-1-4-10-18)30-23(20)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,27,33)(H,29,32)
InChIKeyGPSKRCGBTSTMSE-UHFFFAOYSA-N
XLogP3.76
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 24668798
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide
CID 47029005
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 24610565
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8929267

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 24610550) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is GPSKRCGBTSTMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c32-25-22-14-8-7-13-21(22)24(28-29-25)26(33)27-15-20-17-31(16-18-9-3-1-4-10-18)30-23(20)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,27,33)(H,29,32).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 24610550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).