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

C17H23N3O2 — CID 67020981

IUPAC1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1
InChIInChI=1S/C17H23N3O2/c21-16(13-8-18-20(9-13)14-1-2-14)19-15-11-3-10-4-12(15)7-17(22,5-10)6-11/h8-12,14-15,22H,1-7H2,(H,19,21)
InChIKeyBPDOHYWXTHRFLV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.89
Rot. Bonds3

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

1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide (PubChem CID 67020981) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
PubChem CID67020981
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1
InChIInChI=1S/C17H23N3O2/c21-16(13-8-18-20(9-13)14-1-2-14)19-15-11-3-10-4-12(15)7-17(22,5-10)6-11/h8-12,14-15,22H,1-7H2,(H,19,21)
InChIKeyBPDOHYWXTHRFLV-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 844723
1-cyclopropyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid (5-hydroxy-adamantan-2-yl)-amide
CID 25013857
1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972855
1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972866
1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972890
1-cyclohexyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972892
1-cyclopentyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 67020782
1-cyclopropyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 67020880
1-(cyclopropylmethyl)-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 67020915
1-cyclohexyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 67020983
1-cyclobutyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 67020997
1-butyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 69158773

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide (CID 67020981) is 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
The InChIKey is BPDOHYWXTHRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(13-8-18-20(9-13)14-1-2-14)19-15-11-3-10-4-12(15)7-17(22,5-10)6-11/h8-12,14-15,22H,1-7H2,(H,19,21).
What are the key properties of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide is sourced from PubChem (CID 67020981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).