3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide

C18H25N3O — CID 5301079

IUPAC3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NC1CC1
InChIInChI=1S/C18H25N3O/c1-21-15(17(22)19-14-2-3-14)7-16(20-21)18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-14H,2-6,8-10H2,1H3,(H,19,22)
InChIKeyKCRGYWVYKTWYDA-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.78
Rot. Bonds3

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

3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide (PubChem CID 5301079) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide
PubChem CID5301079
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NC1CC1
InChIInChI=1S/C18H25N3O/c1-21-15(17(22)19-14-2-3-14)7-16(20-21)18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-14H,2-6,8-10H2,1H3,(H,19,22)
InChIKeyKCRGYWVYKTWYDA-UHFFFAOYSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide (CID 5301079) is 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide is Cn1nc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NC1CC1.
What is the InChIKey of 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide?
The InChIKey is KCRGYWVYKTWYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-21-15(17(22)19-14-2-3-14)7-16(20-21)18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-14H,2-6,8-10H2,1H3,(H,19,22).
What are the key properties of 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide?
3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-N-cyclopropyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 5301079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).