N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide

C16H22BrN3O — CID 4768473

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1cc(Br)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22BrN3O/c17-14-9-19-20(10-14)2-1-18-15(21)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,1-8H2,(H,18,21)
InChIKeyOANOWBOBIWMUJZ-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide

N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide (PubChem CID 4768473) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide
PubChem CID4768473
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1cc(Br)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22BrN3O/c17-14-9-19-20(10-14)2-1-18-15(21)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,1-8H2,(H,18,21)
InChIKeyOANOWBOBIWMUJZ-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-adamantanecarboxamide
CID 3556765
N-(2-adamantanylethyl)-2-(4-iodopyrazolyl)acetamide
CID 5306183
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]adamantane-1-carboxamide
CID 60322665
2-(3-bromo-1-adamantyl)-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]acetamide
CID 60322668
2-[(5R,7R)-3-bromo-1-adamantyl]-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]acetamide
CID 98675396
2-(1-adamantyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4128801
1-(1-adamantylacetyl)-4-bromo-1H-pyrazole
CID 4429961
2-(1-adamantyl)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 5197739
2-(1-adamantyl)-N-[1-methyl-3-(1H-pyrazol-1-yl)propyl]acetamide
CID 46983207
1-Adamantyl-(4-methylpyrazol-1-yl)methanone
CID 4768855
N-(1-Adamantylmethyl)-3-(4-bromo-1H-pyrazol-1-YL)propanamide
CID 4768935
8-(4-bromo-1H-pyrazol-1-yl)-2-azaspiro[4.5]decan-3-one
CID 89935781

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide (CID 4768473) is N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide is O=C(NCCn1cc(Br)cn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is OANOWBOBIWMUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-14-9-19-20(10-14)2-1-18-15(21)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,1-8H2,(H,18,21).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4768473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).