N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine

C40H42N6 — CID 15252103

IUPACN-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine
SMILESc1ccc(C2=NN(c3ccccc3)C3(CCCCC3)N2c2c(-c3ccccc3)nn(-c3ccccc3)c2NC2CCCCC2)cc1
InChIInChI=1S/C40H42N6/c1-7-19-31(20-8-1)36-37(39(41-33-23-11-3-12-24-33)45(42-36)34-25-13-4-14-26-34)44-38(32-21-9-2-10-22-32)43-46(35-27-15-5-16-28-35)40(44)29-17-6-18-30-40/h1-2,4-5,7-10,13-16,19-22,25-28,33,41H,3,6,11-12,17-18,23-24,29-30H2
InChIKeyURXRJMGKMHTYKR-UHFFFAOYSA-N
MW606.82 g/mol
LogP9.63
Rot. Bonds7

About N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine

N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine (PubChem CID 15252103) has the molecular formula C40H42N6 and a molecular weight of 606.82 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine
PubChem CID15252103
Molecular FormulaC40H42N6
Molecular Weight606.82 g/mol
Exact Mass606.35
IUPAC NameN-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine
SMILESc1ccc(C2=NN(c3ccccc3)C3(CCCCC3)N2c2c(-c3ccccc3)nn(-c3ccccc3)c2NC2CCCCC2)cc1
InChIInChI=1S/C40H42N6/c1-7-19-31(20-8-1)36-37(39(41-33-23-11-3-12-24-33)45(42-36)34-25-13-4-14-26-34)44-38(32-21-9-2-10-22-32)43-46(35-27-15-5-16-28-35)40(44)29-17-6-18-30-40/h1-2,4-5,7-10,13-16,19-22,25-28,33,41H,3,6,11-12,17-18,23-24,29-30H2
InChIKeyURXRJMGKMHTYKR-UHFFFAOYSA-N
XLogP9.63
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.82
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-(10-Methyl-8,11-diphenyl-8,11-dihydro-5,7,8,9,11a-pentaaza-cyclopenta[b]phenanthren-6-ylamino)-phenyl]-acetamide
CID 3757772
8-Benzyl-14-methyl-12-phenyl-16-(4-propan-2-ylphenyl)-1,8,10,12,13-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene
CID 4285177
N-cyclopropyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide
CID 2324488
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CID 2322839
N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide
CID 52942057
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CID 52940872
N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide
CID 52945700
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine?
The IUPAC name of N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine (CID 15252103) is N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine.
What is the SMILES notation for N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine?
The canonical SMILES for N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine is c1ccc(C2=NN(c3ccccc3)C3(CCCCC3)N2c2c(-c3ccccc3)nn(-c3ccccc3)c2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine?
The InChIKey is URXRJMGKMHTYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N6/c1-7-19-31(20-8-1)36-37(39(41-33-23-11-3-12-24-33)45(42-36)34-25-13-4-14-26-34)44-38(32-21-9-2-10-22-32)43-46(35-27-15-5-16-28-35)40(44)29-17-6-18-30-40/h1-2,4-5,7-10,13-16,19-22,25-28,33,41H,3,6,11-12,17-18,23-24,29-30H2.
What are the key properties of N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine?
N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine has a molecular weight of 606.82 g/mol, XLogP of 9.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,3-diphenyl-1,2,4-triazaspiro[4.5]dec-2-en-4-yl)-1,3-diphenylpyrazol-5-amine is sourced from PubChem (CID 15252103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).