4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride

C11H15Cl2N3O2 — CID 19552342

IUPAC4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
SMILESCc1c(Cl)cnn1CCC(=O)NCCCC(=O)Cl
InChIInChI=1S/C11H15Cl2N3O2/c1-8-9(12)7-15-16(8)6-4-11(18)14-5-2-3-10(13)17/h7H,2-6H2,1H3,(H,14,18)
InChIKeyAIEILWITHVWYPE-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.90
Rot. Bonds7

About 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride

4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride (PubChem CID 19552342) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride.

Molecular Properties

Compound Name4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
PubChem CID19552342
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
SMILESCc1c(Cl)cnn1CCC(=O)NCCCC(=O)Cl
InChIInChI=1S/C11H15Cl2N3O2/c1-8-9(12)7-15-16(8)6-4-11(18)14-5-2-3-10(13)17/h7H,2-6H2,1H3,(H,14,18)
InChIKeyAIEILWITHVWYPE-UHFFFAOYSA-N
XLogP1.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552038
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
3-(4-chloro-5-methylpyrazol-1-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 19554051
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 19520643
4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]butanoyl chloride
CID 19554162
4-[3-(4-bromopyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19561719
N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551972
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19541656
4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]butanoyl chloride
CID 19522471
4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620405
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate
CID 66337882

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride?
The IUPAC name of 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride (CID 19552342) is 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride.
What is the SMILES notation for 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride?
The canonical SMILES for 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride is Cc1c(Cl)cnn1CCC(=O)NCCCC(=O)Cl.
What is the InChIKey of 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride?
The InChIKey is AIEILWITHVWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-8-9(12)7-15-16(8)6-4-11(18)14-5-2-3-10(13)17/h7H,2-6H2,1H3,(H,14,18).
What are the key properties of 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride?
4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride has a molecular weight of 292.17 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride is sourced from PubChem (CID 19552342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).