N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide

C19H28N4O — CID 25013861

IUPACN-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCC1
InChIInChI=1S/C19H28N4O/c1-22-19(23-4-2-3-5-23)16(11-20-22)18(24)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-15,17H,2-10H2,1H3,(H,21,24)
InChIKeyZYYDXDKIGCJUKO-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.57
Rot. Bonds3

About N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide

N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide (PubChem CID 25013861) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide
PubChem CID25013861
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCC1
InChIInChI=1S/C19H28N4O/c1-22-19(23-4-2-3-5-23)16(11-20-22)18(24)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-15,17H,2-10H2,1H3,(H,21,24)
InChIKeyZYYDXDKIGCJUKO-UHFFFAOYSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide (CID 25013861) is N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCC1.
What is the InChIKey of N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
The InChIKey is ZYYDXDKIGCJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22-19(23-4-2-3-5-23)16(11-20-22)18(24)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-15,17H,2-10H2,1H3,(H,21,24).
What are the key properties of N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide?
N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-methyl-5-pyrrolidin-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25013861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).