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

C20H26F3N3O2 — CID 58972855

IUPAC1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CCCC2)c1C(F)(F)F
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)17-15(10-24-26(17)14-3-1-2-4-14)18(27)25-16-12-5-11-6-13(16)9-19(28,7-11)8-12/h10-14,16,28H,1-9H2,(H,25,27)
InChIKeyXGXYEFXLTHCELR-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.69
Rot. Bonds3

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

1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 58972855) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID58972855
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CCCC2)c1C(F)(F)F
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)17-15(10-24-26(17)14-3-1-2-4-14)18(27)25-16-12-5-11-6-13(16)9-19(28,7-11)8-12/h10-14,16,28H,1-9H2,(H,25,27)
InChIKeyXGXYEFXLTHCELR-UHFFFAOYSA-N
XLogP3.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3S)-5-hydroxy-2-adamantyl]-1-(4-hydroxycyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 25012564
1-tert-butyl-N-[(1S,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 25013376
1-tert-butyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 25013377
1-methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
CID 25013542
1-tert-butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
CID 25013544
1-cyclopropyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
CID 25013548
1-cyclopropyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid (5-hydroxy-adamantan-2-yl)-amide
CID 25013857
[4-[[1-[(E)-3-(methoxycarbonylamino)-3-methylbut-1-enyl]-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-1-adamantyl] N,N-dimethylcarbamate
CID 53261687
[4-[[1-[(E)-3-(methoxycarbonylamino)-3-methylbut-1-enyl]-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-1-adamantyl] N-ethylcarbamate
CID 53261804
methyl N-[(E)-4-[4-[(5-carbamoyloxy-2-adamantyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]-2-methylbut-3-en-2-yl]carbamate
CID 53261805
1-tert-butyl-N-(5-fluoro-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972818
N-(5-hydroxy-2-adamantyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972823

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 58972855) is 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CCCC2)c1C(F)(F)F.
What is the InChIKey of 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XGXYEFXLTHCELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c21-20(22,23)17-15(10-24-26(17)14-3-1-2-4-14)18(27)25-16-12-5-11-6-13(16)9-19(28,7-11)8-12/h10-14,16,28H,1-9H2,(H,25,27).
What are the key properties of 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58972855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).