3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine

C37H42N10 — CID 144790671

IUPAC3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine
SMILESC=C.CC.NN.NN.c1ccc(-c2cc(-c3cccc(-c4cc(-c5cccc(-c6cc(-c7ccccc7)n[nH]6)c5)[nH]n4)c3)[nH]n2)cc1
InChIInChI=1S/C33H24N6.C2H6.C2H4.2H4N2/c1-3-9-22(10-4-1)28-19-30(36-34-28)24-13-7-15-26(17-24)32-21-33(39-38-32)27-16-8-14-25(18-27)31-20-29(35-37-31)23-11-5-2-6-12-23;4*1-2/h1-21H,(H,34,36)(H,35,37)(H,38,39);1-2H3;3*1-2H2
InChIKeyRYBRYXFQJURQEU-UHFFFAOYSA-N
MW626.81 g/mol
LogP7.32
Rot. Bonds6

About 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine

3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine (PubChem CID 144790671) has the molecular formula C37H42N10 and a molecular weight of 626.81 g/mol. Its IUPAC name is 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine.

Molecular Properties

Compound Name3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine
PubChem CID144790671
Molecular FormulaC37H42N10
Molecular Weight626.81 g/mol
Exact Mass626.36
IUPAC Name3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine
SMILESC=C.CC.NN.NN.c1ccc(-c2cc(-c3cccc(-c4cc(-c5cccc(-c6cc(-c7ccccc7)n[nH]6)c5)[nH]n4)c3)[nH]n2)cc1
InChIInChI=1S/C33H24N6.C2H6.C2H4.2H4N2/c1-3-9-22(10-4-1)28-19-30(36-34-28)24-13-7-15-26(17-24)32-21-33(39-38-32)27-16-8-14-25(18-27)31-20-29(35-37-31)23-11-5-2-6-12-23;4*1-2/h1-21H,(H,34,36)(H,35,37)(H,38,39);1-2H3;3*1-2H2
InChIKeyRYBRYXFQJURQEU-UHFFFAOYSA-N
XLogP7.32
TPSA190.12 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500626.81
LogP ≤ 57.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
CID 11089757
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CID 398009
5-[3,5-bis(1H-pyrazol-5-yl)phenyl]-1H-pyrazole
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3-Phenyl-5-(m-tolyl)-1H-pyrazole
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3-Phenyl-5-(5-phenyl-1h-pyrazol-3-yl)-1h-pyrazole
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5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CID 10959397
5-[4-(4-methylphenyl)phenyl]-3-phenyl-1H-pyrazole
CID 135065263
tris(3,5-diphenyl-1H-pyrazol-4-yl)borane
CID 54132821
tris(5-methyl-3-phenyl-1H-pyrazol-4-yl)borane
CID 57030268
Tris(3,5-diphenylpyrazol-1-yl)borane
CID 91278876
5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529580
5-benzyl-3-propan-2-yl-1H-pyrazole;5-(dicyclopropylmethyl)-3-propan-2-yl-1H-pyrazole;4-fluoroaniline;5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 144988107

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine?
The IUPAC name of 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine (CID 144790671) is 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine.
What is the SMILES notation for 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine?
The canonical SMILES for 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine is C=C.CC.NN.NN.c1ccc(-c2cc(-c3cccc(-c4cc(-c5cccc(-c6cc(-c7ccccc7)n[nH]6)c5)[nH]n4)c3)[nH]n2)cc1.
What is the InChIKey of 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine?
The InChIKey is RYBRYXFQJURQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6.C2H6.C2H4.2H4N2/c1-3-9-22(10-4-1)28-19-30(36-34-28)24-13-7-15-26(17-24)32-21-33(39-38-32)27-16-8-14-25(18-27)31-20-29(35-37-31)23-11-5-2-6-12-23;4*1-2/h1-21H,(H,34,36)(H,35,37)(H,38,39);1-2H3;3*1-2H2.
What are the key properties of 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine?
3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine has a molecular weight of 626.81 g/mol, XLogP of 7.32, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole;ethane;ethene;hydrazine is sourced from PubChem (CID 144790671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).