3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole

C12H14N4 — CID 91229682

IUPAC3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole
SMILESc1cc(C2CCN=N2)ccc1C1CCN=N1
InChIInChI=1S/C12H14N4/c1-2-10(12-6-8-14-16-12)4-3-9(1)11-5-7-13-15-11/h1-4,11-12H,5-8H2
InChIKeyRYKLEPDRZBPUJE-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.48
Rot. Bonds2

About 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole

3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole (PubChem CID 91229682) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole
PubChem CID91229682
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole
SMILESc1cc(C2CCN=N2)ccc1C1CCN=N1
InChIInChI=1S/C12H14N4/c1-2-10(12-6-8-14-16-12)4-3-9(1)11-5-7-13-15-11/h1-4,11-12H,5-8H2
InChIKeyRYKLEPDRZBPUJE-UHFFFAOYSA-N
XLogP3.48
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole
CID 54133918
3,6-diphenyl-3,4,5,6-tetrahydropyridazine
CID 14591674
(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616611
3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616610
4-[4-(4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,3-thiazole
CID 102485039
4-(4-bromophenyl)-1-methyl-4,5-dihydrotriazole
CID 155187775
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
4-cyclopropyl-1,2-oxazole
CID 123690360
6-cycloheptyl-1,3-benzothiazole
CID 173169792
4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 138114926
2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
CID 139648649
4-[4-(2,2-dimethylpropyl)cyclohexyl]benzonitrile
CID 66584989

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole (CID 91229682) is 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole is c1cc(C2CCN=N2)ccc1C1CCN=N1.
What is the InChIKey of 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole?
The InChIKey is RYKLEPDRZBPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-10(12-6-8-14-16-12)4-3-9(1)11-5-7-13-15-11/h1-4,11-12H,5-8H2.
What are the key properties of 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole?
3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole has a molecular weight of 214.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-3H-pyrazol-3-yl)phenyl]-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 91229682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).