N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

C20H25N3O2 — CID 37364660

IUPACN-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H25N3O2/c1-23(12-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)17-8-16(21-22-17)18-3-2-4-25-18/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,21,22)
InChIKeyYIAULAXQFSVCAO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.96
Rot. Bonds4

About N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 37364660) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID37364660
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H25N3O2/c1-23(12-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)17-8-16(21-22-17)18-3-2-4-25-18/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,21,22)
InChIKeyYIAULAXQFSVCAO-UHFFFAOYSA-N
XLogP3.96
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-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-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (CID 37364660) is N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YIAULAXQFSVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23(12-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)17-8-16(21-22-17)18-3-2-4-25-18/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 37364660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).