N-[3-(4-chloropyrazol-1-yl)propyl]acetamide

C8H12ClN3O — CID 19331985

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C8H12ClN3O/c1-7(13)10-3-2-4-12-6-8(9)5-11-12/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyHFZHUTHQVIPUCO-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.06
Rot. Bonds4

About N-[3-(4-chloropyrazol-1-yl)propyl]acetamide

N-[3-(4-chloropyrazol-1-yl)propyl]acetamide (PubChem CID 19331985) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]acetamide
PubChem CID19331985
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C8H12ClN3O/c1-7(13)10-3-2-4-12-6-8(9)5-11-12/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyHFZHUTHQVIPUCO-UHFFFAOYSA-N
XLogP1.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.06
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

N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
CID 118772227
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
5-(4-chloropyrazol-1-yl)pentanoic acid
CID 61035108
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]acetamide (CID 19331985) is N-[3-(4-chloropyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]acetamide is CC(=O)NCCCn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
The InChIKey is HFZHUTHQVIPUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-7(13)10-3-2-4-12-6-8(9)5-11-12/h5-6H,2-4H2,1H3,(H,10,13).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]acetamide?
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide has a molecular weight of 201.66 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19331985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).