N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide

C17H23F2N3O — CID 40761681

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(C(F)F)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23F2N3O/c1-10(20-15(23)14-2-3-22(21-14)16(18)19)17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,10-13,16H,4-9H2,1H3,(H,20,23)/t10-,11?,12?,13?,17?/m1/s1
InChIKeyOHIMSGLUVQCLNM-LKBWSCCASA-N
MW323.39 g/mol
LogP3.61
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide

N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 40761681) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID40761681
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(C(F)F)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23F2N3O/c1-10(20-15(23)14-2-3-22(21-14)16(18)19)17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,10-13,16H,4-9H2,1H3,(H,20,23)/t10-,11?,12?,13?,17?/m1/s1
InChIKeyOHIMSGLUVQCLNM-LKBWSCCASA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-Adamantyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6465121
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
CID 3612272
2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide
CID 51390284
(3R*,4S*)-1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4-propylpyrrolidin-3-amine
CID 72897445
2,3,4,5,5a,6,7,8,9,9a-Decahydrobenzo[b]azepin-1-yl-[1-(2,2-difluoroethyl)pyrazol-3-yl]methanone
CID 119050418
1-(difluoromethyl)-N-[4-(difluoromethyl)cyclohexyl]pyrazole-3-carboxamide
CID 137995838
N-(1-Adamantyl)-1-(difluoromethyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 4767947
N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide
CID 4769597
N-(1-Adamantylmethyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4770268
N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 42892076
1-[(E)-3,3-dimethyl-4-(methylamino)-4-oxobut-1-enyl]-N-(5-fluoro-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 59496019
1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-(2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 70909078

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 40761681) is N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide is C[C@@H](NC(=O)c1ccn(C(F)F)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is OHIMSGLUVQCLNM-LKBWSCCASA-N. The full InChI is InChI=1S/C17H23F2N3O/c1-10(20-15(23)14-2-3-22(21-14)16(18)19)17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,10-13,16H,4-9H2,1H3,(H,20,23)/t10-,11?,12?,13?,17?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 40761681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).