N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide

C26H34N4O2 — CID 25203979

IUPACN-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCC1CN(c2c(C(=O)NC3C4CC5CC(C4)CC3C5)cnn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C26H34N4O2/c1-16-14-29(15-17(2)32-16)26-23(13-27-30(26)22-6-4-3-5-7-22)25(31)28-24-20-9-18-8-19(11-20)12-21(24)10-18/h3-7,13,16-21,24H,8-12,14-15H2,1-2H3,(H,28,31)
InChIKeyUUWSUIFNPOFLQM-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.04
Rot. Bonds4

About N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide

N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 25203979) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID25203979
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCC1CN(c2c(C(=O)NC3C4CC5CC(C4)CC3C5)cnn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C26H34N4O2/c1-16-14-29(15-17(2)32-16)26-23(13-27-30(26)22-6-4-3-5-7-22)25(31)28-24-20-9-18-8-19(11-20)12-21(24)10-18/h3-7,13,16-21,24H,8-12,14-15H2,1-2H3,(H,28,31)
InChIKeyUUWSUIFNPOFLQM-UHFFFAOYSA-N
XLogP4.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide (CID 25203979) is N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide is CC1CN(c2c(C(=O)NC3C4CC5CC(C4)CC3C5)cnn2-c2ccccc2)CC(C)O1.
What is the InChIKey of N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is UUWSUIFNPOFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-16-14-29(15-17(2)32-16)26-23(13-27-30(26)22-6-4-3-5-7-22)25(31)28-24-20-9-18-8-19(11-20)12-21(24)10-18/h3-7,13,16-21,24H,8-12,14-15H2,1-2H3,(H,28,31).
What are the key properties of N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide?
N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25203979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).