N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide

C17H25N3O — CID 19474036

IUPACN-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cnn1C
InChIInChI=1S/C17H25N3O/c1-11-15(9-19-20(11)2)16(21)18-10-17-6-12-3-13(7-17)5-14(4-12)8-17/h9,12-14H,3-8,10H2,1-2H3,(H,18,21)
InChIKeyOGYWDOXJIBOCDG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds3

About N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide

N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 19474036) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID19474036
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cnn1C
InChIInChI=1S/C17H25N3O/c1-11-15(9-19-20(11)2)16(21)18-10-17-6-12-3-13(7-17)5-14(4-12)8-17/h9,12-14H,3-8,10H2,1-2H3,(H,18,21)
InChIKeyOGYWDOXJIBOCDG-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide (CID 19474036) is N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cnn1C.
What is the InChIKey of N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OGYWDOXJIBOCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-15(9-19-20(11)2)16(21)18-10-17-6-12-3-13(7-17)5-14(4-12)8-17/h9,12-14H,3-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).