(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone

C21H21N3O — CID 150480580

IUPAC(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
SMILESCC(=C1CN(C(=O)N2N=CCC2c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-16(17-8-4-2-5-9-17)19-14-23(15-19)21(25)24-20(12-13-22-24)18-10-6-3-7-11-18/h2-11,13,20H,12,14-15H2,1H3
InChIKeyHTSRJWUVMHGLHH-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.33
Rot. Bonds2

About (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone

(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone (PubChem CID 150480580) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
PubChem CID150480580
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
SMILESCC(=C1CN(C(=O)N2N=CCC2c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-16(17-8-4-2-5-9-17)19-14-23(15-19)21(25)24-20(12-13-22-24)18-10-6-3-7-11-18/h2-11,13,20H,12,14-15H2,1H3
InChIKeyHTSRJWUVMHGLHH-UHFFFAOYSA-N
XLogP4.33
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
CID 168806655
CID 131869061
CID 131869061
2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703691
[3-[(3-methoxyphenyl)methylidene]azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 151130468
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 152623863
[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone
CID 122703724
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
(3-benzylazetidin-1-yl)-[(3S)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385856
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
[3-(2,5-difluorophenoxy)azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 150722383
[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 156785746
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 166747364

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone?
The IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone (CID 150480580) is (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone?
The canonical SMILES for (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone is CC(=C1CN(C(=O)N2N=CCC2c2ccccc2)C1)c1ccccc1.
What is the InChIKey of (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone?
The InChIKey is HTSRJWUVMHGLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16(17-8-4-2-5-9-17)19-14-23(15-19)21(25)24-20(12-13-22-24)18-10-6-3-7-11-18/h2-11,13,20H,12,14-15H2,1H3.
What are the key properties of (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone?
(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone is sourced from PubChem (CID 150480580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).