4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one

C19H14F3N5O — CID 21106496

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C19H14F3N5O/c1-11-10-16(25-24-11)23-17-14-4-2-3-5-15(14)18(28)27(26-17)13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyMODADWRACQIEMS-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.18
Rot. Bonds3

About 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one (PubChem CID 21106496) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
PubChem CID21106496
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C19H14F3N5O/c1-11-10-16(25-24-11)23-17-14-4-2-3-5-15(14)18(28)27(26-17)13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H2,23,24,25,26)
InChIKeyMODADWRACQIEMS-UHFFFAOYSA-N
XLogP4.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanamide
CID 5330955
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
3-Aminopyrazole deriv. 19
CID 5330954
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
7-(4-Methylpiperazin-1-Yl)-4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-(Propan-2-Yl)phthalazin-1(2h)-One
CID 11545405
2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamide
CID 671564

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one (CID 21106496) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one is Cc1cc(Nc2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one?
The InChIKey is MODADWRACQIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-11-10-16(25-24-11)23-17-14-4-2-3-5-15(14)18(28)27(26-17)13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H2,23,24,25,26).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one has a molecular weight of 385.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one is sourced from PubChem (CID 21106496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).