N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H29N3O — CID 41331725

IUPACN-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-12-17(13(2)22(3)21-12)7-18(23)20-11-19-8-14-4-15(9-19)6-16(5-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyKATKBXBRQUTJRD-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.91
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 41331725) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID41331725
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-12-17(13(2)22(3)21-12)7-18(23)20-11-19-8-14-4-15(9-19)6-16(5-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyKATKBXBRQUTJRD-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide 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)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 41331725) is N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KATKBXBRQUTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-12-17(13(2)22(3)21-12)7-18(23)20-11-19-8-14-4-15(9-19)6-16(5-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23).
What are the key properties of N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 315.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 41331725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).