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

C18H23N5O — CID 25013541

IUPACN-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1-n1cccn1
InChIInChI=1S/C18H23N5O/c1-22-18(23-4-2-3-19-23)15(10-20-22)17(24)21-16-13-6-11-5-12(8-13)9-14(16)7-11/h2-4,10-14,16H,5-9H2,1H3,(H,21,24)
InChIKeyPBICESADEROPRB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.16
Rot. Bonds3

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

N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide (PubChem CID 25013541) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide
PubChem CID25013541
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1-n1cccn1
InChIInChI=1S/C18H23N5O/c1-22-18(23-4-2-3-19-23)15(10-20-22)17(24)21-16-13-6-11-5-12(8-13)9-14(16)7-11/h2-4,10-14,16H,5-9H2,1H3,(H,21,24)
InChIKeyPBICESADEROPRB-UHFFFAOYSA-N
XLogP2.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide (CID 25013541) is N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1-n1cccn1.
What is the InChIKey of N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
The InChIKey is PBICESADEROPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-18(23-4-2-3-19-23)15(10-20-22)17(24)21-16-13-6-11-5-12(8-13)9-14(16)7-11/h2-4,10-14,16H,5-9H2,1H3,(H,21,24).
What are the key properties of N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25013541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).