N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide

C20H23N3O — CID 27650301

IUPACN-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H23N3O/c24-19(17-12-21-23(13-17)18-4-2-1-3-5-18)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,12-16H,6-11H2,(H,22,24)
InChIKeyKTQIFZUZZIYSGQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.57
Rot. Bonds3

About N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide

N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 27650301) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
PubChem CID27650301
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H23N3O/c24-19(17-12-21-23(13-17)18-4-2-1-3-5-18)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,12-16H,6-11H2,(H,22,24)
InChIKeyKTQIFZUZZIYSGQ-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide (CID 27650301) is N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KTQIFZUZZIYSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-19(17-12-21-23(13-17)18-4-2-1-3-5-18)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,12-16H,6-11H2,(H,22,24).
What are the key properties of N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide?
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 27650301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).