N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide

C17H25N3O — CID 19278988

IUPACN-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)nn1C
InChIInChI=1S/C17H25N3O/c1-11-4-15(18-20(11)3)16(21)19(2)17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,5-10H2,1-3H3
InChIKeyKLCPNOQWVJVSSJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.77
Rot. Bonds2

About N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide

N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 19278988) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID19278988
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)nn1C
InChIInChI=1S/C17H25N3O/c1-11-4-15(18-20(11)3)16(21)19(2)17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,5-10H2,1-3H3
InChIKeyKLCPNOQWVJVSSJ-UHFFFAOYSA-N
XLogP2.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantyl)-N,1,5-trimethylpyrazole-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-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide (CID 19278988) is N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)nn1C.
What is the InChIKey of N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is KLCPNOQWVJVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-4-15(18-20(11)3)16(21)19(2)17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,5-10H2,1-3H3.
What are the key properties of N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide?
N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19278988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).