1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide

C24H30N6O2 — CID 59495983

IUPAC1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide
SMILESCC(C)(/C=C/n1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c1-n1cccn1)CC#N
InChIInChI=1S/C24H30N6O2/c1-23(2,4-6-25)5-9-30-22(29-8-3-7-26-29)19(15-27-30)21(31)28-20-17-10-16-11-18(20)14-24(32,12-16)13-17/h3,5,7-9,15-18,20,32H,4,10-14H2,1-2H3,(H,28,31)/b9-5+
InChIKeyDKXMYKUMOQTOOB-WEVVVXLNSA-N
MW434.54 g/mol
LogP3.15
Rot. Bonds6

About 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide

1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide (PubChem CID 59495983) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide
PubChem CID59495983
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide
SMILESCC(C)(/C=C/n1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c1-n1cccn1)CC#N
InChIInChI=1S/C24H30N6O2/c1-23(2,4-6-25)5-9-30-22(29-8-3-7-26-29)19(15-27-30)21(31)28-20-17-10-16-11-18(20)14-24(32,12-16)13-17/h3,5,7-9,15-18,20,32H,4,10-14H2,1-2H3,(H,28,31)/b9-5+
InChIKeyDKXMYKUMOQTOOB-WEVVVXLNSA-N
XLogP3.15
TPSA108.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(E)-4-fluoro-3,3-dimethylbut-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 59495946
4-O-tert-butyl 1-O-[4-[4-[(5-hydroxy-2-adamantyl)carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2,2-dimethylbut-3-enyl] piperazine-1,4-dicarboxylate
CID 91104823
N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 25013379
2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide
CID 58230437
N-(5-hydroxy-2-adamantyl)-1-[4-(methoxyamino)-3,3-dimethyl-4-oxobut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxamide
CID 90961248
1-tert-butyl-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 71166526
1-[(E)-4-(ethylideneamino)-3,3-dimethyl-4-oxobut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-(2-methylpropoxy)pyrazole-4-carboxamide
CID 163621025
1-[4-[(5-hydroxy-2-adamantyl)amino]-3,3-dimethyl-4-oxobut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxylic acid
CID 91439058
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
1-[(E)-4-fluoro-3,3-dimethylbut-1-enyl]-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 70909141
N-[(1S,3S)-5-acetamido-2-adamantyl]-1-cyclohexyl-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 25012248
1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-morpholin-4-ylpyrazole-4-carboxamide
CID 59495909

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide (CID 59495983) is 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide is CC(C)(/C=C/n1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c1-n1cccn1)CC#N.
What is the InChIKey of 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide?
The InChIKey is DKXMYKUMOQTOOB-WEVVVXLNSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-23(2,4-6-25)5-9-30-22(29-8-3-7-26-29)19(15-27-30)21(31)28-20-17-10-16-11-18(20)14-24(32,12-16)13-17/h3,5,7-9,15-18,20,32H,4,10-14H2,1-2H3,(H,28,31)/b9-5+.
What are the key properties of 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide?
1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-N-(5-hydroxy-2-adamantyl)-5-pyrazol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 59495983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).