2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide

C19H28ClN3O — CID 19325691

IUPAC2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C19H28ClN3O/c1-13-17(20)12-23(22-13)4-2-3-21-18(24)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h12,14-16H,2-11H2,1H3,(H,21,24)
InChIKeyVKSGULITJZAJKR-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.96
Rot. Bonds6

About 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide

2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19325691) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide
PubChem CID19325691
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C19H28ClN3O/c1-13-17(20)12-23(22-13)4-2-3-21-18(24)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h12,14-16H,2-11H2,1H3,(H,21,24)
InChIKeyVKSGULITJZAJKR-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19330217
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetamide
CID 19329889
3-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 19473781
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565980
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523462
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide
CID 134036952
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-3,4-dichlorobenzamide
CID 108537881
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19325839

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide (CID 19325691) is 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide is Cc1nn(CCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1Cl.
What is the InChIKey of 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is VKSGULITJZAJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-13-17(20)12-23(22-13)4-2-3-21-18(24)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h12,14-16H,2-11H2,1H3,(H,21,24).
What are the key properties of 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide?
2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 349.91 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19325691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).