1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H24F3N3O2 — CID 58972890

IUPAC1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(CC2CC2)c1C(F)(F)F
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)16-14(8-23-25(16)9-10-1-2-10)17(26)24-15-12-3-11-4-13(15)7-18(27,5-11)6-12/h8,10-13,15,27H,1-7,9H2,(H,24,26)
InChIKeyAXXYLBCIMVSLCK-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.98
Rot. Bonds4

About 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 58972890) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID58972890
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(CC2CC2)c1C(F)(F)F
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)16-14(8-23-25(16)9-10-1-2-10)17(26)24-15-12-3-11-4-13(15)7-18(27,5-11)6-12/h8,10-13,15,27H,1-7,9H2,(H,24,26)
InChIKeyAXXYLBCIMVSLCK-UHFFFAOYSA-N
XLogP2.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 58972890) is 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(CC2CC2)c1C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AXXYLBCIMVSLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)16-14(8-23-25(16)9-10-1-2-10)17(26)24-15-12-3-11-4-13(15)7-18(27,5-11)6-12/h8,10-13,15,27H,1-7,9H2,(H,24,26).
What are the key properties of 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58972890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).