N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide

C20H31N3O — CID 40726754

IUPACN-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1c(C)nn(C)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O/c1-5-17(21-19(24)18-12(2)22-23(4)13(18)3)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,5-11H2,1-4H3,(H,21,24)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyHLBOHNHOLHSXNH-VQBCORBOSA-N
MW329.49 g/mol
LogP3.76
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 40726754) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID40726754
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1c(C)nn(C)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O/c1-5-17(21-19(24)18-12(2)22-23(4)13(18)3)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,5-11H2,1-4H3,(H,21,24)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyHLBOHNHOLHSXNH-VQBCORBOSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
CID 17168155
N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473397
N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide
CID 124751289
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459
1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95032727
N-[1-(1-adamantyl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 19585483
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 98288782
2-[3-[1-(1-adamantyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500151
2-[5-[1-(1-adamantyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482446
N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19448416
N-[1-(1-adamantyl)propyl]-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 4773020

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 40726754) is N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide is CC[C@@H](NC(=O)c1c(C)nn(C)c1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is HLBOHNHOLHSXNH-VQBCORBOSA-N. The full InChI is InChI=1S/C20H31N3O/c1-5-17(21-19(24)18-12(2)22-23(4)13(18)3)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,5-11H2,1-4H3,(H,21,24)/t14?,15?,16?,17-,20?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.76, 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)propyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 40726754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).