5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide

C11H18ClN3O — CID 112668674

IUPAC5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
SMILESCc1nn(C)cc1CNC(=O)CCCCCl
InChIInChI=1S/C11H18ClN3O/c1-9-10(8-15(2)14-9)7-13-11(16)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyPKNSSFUOXGLDDQ-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.75
Rot. Bonds6

About 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide

5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide (PubChem CID 112668674) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
PubChem CID112668674
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
SMILESCc1nn(C)cc1CNC(=O)CCCCCl
InChIInChI=1S/C11H18ClN3O/c1-9-10(8-15(2)14-9)7-13-11(16)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyPKNSSFUOXGLDDQ-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569842
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 103263035
3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 115988957
N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide (CID 112668674) is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide is Cc1nn(C)cc1CNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is PKNSSFUOXGLDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-9-10(8-15(2)14-9)7-13-11(16)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 243.74 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 112668674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).