N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide

C17H25N3O — CID 3612272

IUPACN-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-3-20-15(4-5-18-20)16(21)19(2)17-9-12-6-13(10-17)8-14(7-12)11-17/h4-5,12-14H,3,6-11H2,1-2H3
InChIKeyIECVKQRDXBSGTG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds3

About N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide

N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 3612272) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID3612272
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-3-20-15(4-5-18-20)16(21)19(2)17-9-12-6-13(10-17)8-14(7-12)11-17/h4-5,12-14H,3,6-11H2,1-2H3
InChIKeyIECVKQRDXBSGTG-UHFFFAOYSA-N
XLogP2.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide (CID 3612272) is N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide is CCn1nccc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is IECVKQRDXBSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-20-15(4-5-18-20)16(21)19(2)17-9-12-6-13(10-17)8-14(7-12)11-17/h4-5,12-14H,3,6-11H2,1-2H3.
What are the key properties of N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide?
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 3612272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).