N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C20H27N5O — CID 78879952

IUPACN-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C20H27N5O/c1-11-18(12(2)25(3)24-11)16-7-17(23-22-16)19(26)21-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,13-15H,4-6,8-10H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyPQSZMCWQHAEZTC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.13
Rot. Bonds3

About N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78879952) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78879952
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C20H27N5O/c1-11-18(12(2)25(3)24-11)16-7-17(23-22-16)19(26)21-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,13-15H,4-6,8-10H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyPQSZMCWQHAEZTC-UHFFFAOYSA-N
XLogP3.13
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-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)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78879952) is N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)[nH]n1.
What is the InChIKey of N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PQSZMCWQHAEZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-11-18(12(2)25(3)24-11)16-7-17(23-22-16)19(26)21-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,13-15H,4-6,8-10H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78879952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).