N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide

C16H23N3O — CID 4769216

IUPACN-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H23N3O/c1-19-9-14(8-18-19)15(20)17-10-16-5-11-2-12(6-16)4-13(3-11)7-16/h8-9,11-13H,2-7,10H2,1H3,(H,17,20)
InChIKeyYJTZGKMHNWYKJB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds3

About N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide

N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 4769216) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide
PubChem CID4769216
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H23N3O/c1-19-9-14(8-18-19)15(20)17-10-16-5-11-2-12(6-16)4-13(3-11)7-16/h8-9,11-13H,2-7,10H2,1H3,(H,17,20)
InChIKeyYJTZGKMHNWYKJB-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
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-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide (CID 4769216) is N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is YJTZGKMHNWYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-9-14(8-18-19)15(20)17-10-16-5-11-2-12(6-16)4-13(3-11)7-16/h8-9,11-13H,2-7,10H2,1H3,(H,17,20).
What are the key properties of N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide?
N-(1-adamantylmethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.37, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4769216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).