5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine

C36H39N5 — CID 59661233

IUPAC5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine
SMILESc1ccc(N(c2cc(C3CCCCC3)n(-c3ccccc3)n2)c2cc(C3CCCCC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H39N5/c1-6-16-28(17-7-1)33-26-35(37-40(33)31-22-12-4-13-23-31)39(30-20-10-3-11-21-30)36-27-34(29-18-8-2-9-19-29)41(38-36)32-24-14-5-15-25-32/h3-5,10-15,20-29H,1-2,6-9,16-19H2
InChIKeyMDURTYJIOAKQKM-UHFFFAOYSA-N
MW541.74 g/mol
LogP9.62
Rot. Bonds7

About 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine

5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine (PubChem CID 59661233) has the molecular formula C36H39N5 and a molecular weight of 541.74 g/mol. Its IUPAC name is 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine
PubChem CID59661233
Molecular FormulaC36H39N5
Molecular Weight541.74 g/mol
Exact Mass541.32
IUPAC Name5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine
SMILESc1ccc(N(c2cc(C3CCCCC3)n(-c3ccccc3)n2)c2cc(C3CCCCC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H39N5/c1-6-16-28(17-7-1)33-26-35(37-40(33)31-22-12-4-13-23-31)39(30-20-10-3-11-21-30)36-27-34(29-18-8-2-9-19-29)41(38-36)32-24-14-5-15-25-32/h3-5,10-15,20-29H,1-2,6-9,16-19H2
InChIKeyMDURTYJIOAKQKM-UHFFFAOYSA-N
XLogP9.62
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine?
The IUPAC name of 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine (CID 59661233) is 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine.
What is the SMILES notation for 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine?
The canonical SMILES for 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine is c1ccc(N(c2cc(C3CCCCC3)n(-c3ccccc3)n2)c2cc(C3CCCCC3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine?
The InChIKey is MDURTYJIOAKQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N5/c1-6-16-28(17-7-1)33-26-35(37-40(33)31-22-12-4-13-23-31)39(30-20-10-3-11-21-30)36-27-34(29-18-8-2-9-19-29)41(38-36)32-24-14-5-15-25-32/h3-5,10-15,20-29H,1-2,6-9,16-19H2.
What are the key properties of 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine?
5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine has a molecular weight of 541.74 g/mol, XLogP of 9.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-(5-cyclohexyl-1-phenylpyrazol-3-yl)-N,1-diphenylpyrazol-3-amine is sourced from PubChem (CID 59661233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).