[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

C20H17FN4O — CID 71203560

IUPAC[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2cnn(Cc3ccccc3)c2)=N1
InChIInChI=1S/C20H17FN4O/c21-18-8-4-7-16(11-18)20(26)25-10-9-19(23-25)17-12-22-24(14-17)13-15-5-2-1-3-6-15/h1-8,11-12,14H,9-10,13H2
InChIKeyVBNRTPJPQGASHY-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.32
Rot. Bonds4

About [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (PubChem CID 71203560) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
PubChem CID71203560
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2cnn(Cc3ccccc3)c2)=N1
InChIInChI=1S/C20H17FN4O/c21-18-8-4-7-16(11-18)20(26)25-10-9-19(23-25)17-12-22-24(14-17)13-15-5-2-1-3-6-15/h1-8,11-12,14H,9-10,13H2
InChIKeyVBNRTPJPQGASHY-UHFFFAOYSA-N
XLogP3.32
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 136623774
(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
CID 71185194
(3-fluorophenyl)-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71203455
[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 89350646
(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184882
2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26514033
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
4-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzoic acid
CID 163359312
(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
CID 19290845
[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[5-(3-isocyanophenyl)-3,4-dihydropyrazol-2-yl]methanone;(3-fluorophenyl)-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 159133900
(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184896

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (CID 71203560) is [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC(c2cnn(Cc3ccccc3)c2)=N1.
What is the InChIKey of [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is VBNRTPJPQGASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-18-8-4-7-16(11-18)20(26)25-10-9-19(23-25)17-12-22-24(14-17)13-15-5-2-1-3-6-15/h1-8,11-12,14H,9-10,13H2.
What are the key properties of [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 348.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 71203560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).