N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide

C23H23N5O2 — CID 55429046

IUPACN-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C23H23N5O2/c1-16(2)28-22(29)20-12-8-7-11-19(20)21(25-28)23(30)26(3)14-17-13-24-27(15-17)18-9-5-4-6-10-18/h4-13,15-16H,14H2,1-3H3
InChIKeyHYYSRIHZIVBVBP-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.44
Rot. Bonds5

About N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide

N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 55429046) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID55429046
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C23H23N5O2/c1-16(2)28-22(29)20-12-8-7-11-19(20)21(25-28)23(30)26(3)14-17-13-24-27(15-17)18-9-5-4-6-10-18/h4-13,15-16H,14H2,1-3H3
InChIKeyHYYSRIHZIVBVBP-UHFFFAOYSA-N
XLogP3.44
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 29417377
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 46994368
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51143628
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
5-chloro-N-methyl-2-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 43047378

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide (CID 55429046) is N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c2ccccc2c1=O.
What is the InChIKey of N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is HYYSRIHZIVBVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16(2)28-22(29)20-12-8-7-11-19(20)21(25-28)23(30)26(3)14-17-13-24-27(15-17)18-9-5-4-6-10-18/h4-13,15-16H,14H2,1-3H3.
What are the key properties of N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide?
N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 55429046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).