N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide

C17H24BrN3O — CID 4768935

IUPACN-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24BrN3O/c18-15-9-20-21(10-15)2-1-16(22)19-11-17-6-12-3-13(7-17)5-14(4-12)8-17/h9-10,12-14H,1-8,11H2,(H,19,22)
InChIKeyUYPIVYBTPISMLJ-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.37
Rot. Bonds5

About N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide

N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide (PubChem CID 4768935) has the molecular formula C17H24BrN3O and a molecular weight of 366.30 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide
PubChem CID4768935
Molecular FormulaC17H24BrN3O
Molecular Weight366.30 g/mol
Exact Mass365.11
IUPAC NameN-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24BrN3O/c18-15-9-20-21(10-15)2-1-16(22)19-11-17-6-12-3-13(7-17)5-14(4-12)8-17/h9-10,12-14H,1-8,11H2,(H,19,22)
InChIKeyUYPIVYBTPISMLJ-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide (CID 4768935) is N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide is O=C(CCn1cc(Br)cn1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide?
The InChIKey is UYPIVYBTPISMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O/c18-15-9-20-21(10-15)2-1-16(22)19-11-17-6-12-3-13(7-17)5-14(4-12)8-17/h9-10,12-14H,1-8,11H2,(H,19,22).
What are the key properties of N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide?
N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide has a molecular weight of 366.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(4-bromopyrazol-1-yl)propanamide is sourced from PubChem (CID 4768935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).