(3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone

C21H24N2O2 — CID 163832901

IUPAC(3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(c3ccc(OC(C)(C)C)cc3)=N2)c1
InChIInChI=1S/C21H24N2O2/c1-15-6-5-7-17(14-15)20(24)23-13-12-19(22-23)16-8-10-18(11-9-16)25-21(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyOFFDKOXLHQGAKZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.42
Rot. Bonds3

About (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone

(3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 163832901) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone
PubChem CID163832901
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(c3ccc(OC(C)(C)C)cc3)=N2)c1
InChIInChI=1S/C21H24N2O2/c1-15-6-5-7-17(14-15)20(24)23-13-12-19(22-23)16-8-10-18(11-9-16)25-21(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyOFFDKOXLHQGAKZ-UHFFFAOYSA-N
XLogP4.42
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone with MolForge

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Related Compounds

(3-fluorophenyl)-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71203455
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
[5-(4-butoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 22605795
[(5R)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone
CID 40560798
2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134011024
(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 22605816
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
(3-aminophenyl)-[6-[3,4-bis(methoxymethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]methanone
CID 58745647
3-methylbenzoic acid
CID 7418
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110294235
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone (CID 163832901) is (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone is Cc1cccc(C(=O)N2CCC(c3ccc(OC(C)(C)C)cc3)=N2)c1.
What is the InChIKey of (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is OFFDKOXLHQGAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-6-5-7-17(14-15)20(24)23-13-12-19(22-23)16-8-10-18(11-9-16)25-21(2,3)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone?
(3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 163832901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).