N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide

C20H29N3O — CID 5301070

IUPACN-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)nn1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3O/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)21-19(24)18-8-17(16-3-4-16)22-23(18)2/h8,12-16H,3-7,9-11H2,1-2H3,(H,21,24)
InChIKeyJZHCLKAFYKQZDG-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide

N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide (PubChem CID 5301070) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
PubChem CID5301070
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)nn1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3O/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)21-19(24)18-8-17(16-3-4-16)22-23(18)2/h8,12-16H,3-7,9-11H2,1-2H3,(H,21,24)
InChIKeyJZHCLKAFYKQZDG-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide (CID 5301070) is N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide is CC(NC(=O)c1cc(C2CC2)nn1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The InChIKey is JZHCLKAFYKQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)21-19(24)18-8-17(16-3-4-16)22-23(18)2/h8,12-16H,3-7,9-11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 5301070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).