N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide

C20H24N4O3 — CID 68618521

IUPACN-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)cc1-c1ccco1
InChIInChI=1S/C20H24N4O3/c1-24-15(16-3-2-4-27-16)6-14(23-24)17(25)22-20-9-12-5-13(10-20)8-19(7-12,11-20)18(21)26/h2-4,6,12-13H,5,7-11H2,1H3,(H2,21,26)(H,22,25)
InChIKeyDBONBBBPTQIZCK-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.23
Rot. Bonds4

About N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide

N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 68618521) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID68618521
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)cc1-c1ccco1
InChIInChI=1S/C20H24N4O3/c1-24-15(16-3-2-4-27-16)6-14(23-24)17(25)22-20-9-12-5-13(10-20)8-19(7-12,11-20)18(21)26/h2-4,6,12-13H,5,7-11H2,1H3,(H2,21,26)(H,22,25)
InChIKeyDBONBBBPTQIZCK-UHFFFAOYSA-N
XLogP2.23
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide (CID 68618521) is N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)cc1-c1ccco1.
What is the InChIKey of N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is DBONBBBPTQIZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-24-15(16-3-2-4-27-16)6-14(23-24)17(25)22-20-9-12-5-13(10-20)8-19(7-12,11-20)18(21)26/h2-4,6,12-13H,5,7-11H2,1H3,(H2,21,26)(H,22,25).
What are the key properties of N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 68618521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).