N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide

C15H20BrN3O — CID 19511346

IUPACN-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1[nH]ncc1Br
InChIInChI=1S/C15H20BrN3O/c16-12-7-18-19-13(12)14(20)17-8-15-4-9-1-10(5-15)3-11(2-9)6-15/h7,9-11H,1-6,8H2,(H,17,20)(H,18,19)
InChIKeyLFKNMGGTXUWKLR-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.12
Rot. Bonds3

About N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide

N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide (PubChem CID 19511346) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide
PubChem CID19511346
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1[nH]ncc1Br
InChIInChI=1S/C15H20BrN3O/c16-12-7-18-19-13(12)14(20)17-8-15-4-9-1-10(5-15)3-11(2-9)6-15/h7,9-11H,1-6,8H2,(H,17,20)(H,18,19)
InChIKeyLFKNMGGTXUWKLR-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 19479917
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
1-(1-adamantylmethyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 108870431
N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 68769387
4-bromo-N'-(2-chloroacetyl)-1H-pyrazole-5-carbohydrazide
CID 12921227
4-bromo-N-hexyl-1H-pyrazole-5-carboxamide
CID 19511210
N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474036
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19283381
4-(1-adamantylmethylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19496253
N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 19479778
N-(1-adamantylmethyl)-5-bromo-2-[(2S)-2-hydroxy-3-(methylamino)propoxy]pyridine-4-carboxamide
CID 58721818

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide (CID 19511346) is N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1[nH]ncc1Br.
What is the InChIKey of N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide?
The InChIKey is LFKNMGGTXUWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-12-7-18-19-13(12)14(20)17-8-15-4-9-1-10(5-15)3-11(2-9)6-15/h7,9-11H,1-6,8H2,(H,17,20)(H,18,19).
What are the key properties of N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide?
N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).