4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride

C10H14ClN3O2 — CID 19473967

IUPAC4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
SMILESCc1c(C(=O)NCCCC(=O)Cl)cnn1C
InChIInChI=1S/C10H14ClN3O2/c1-7-8(6-13-14(7)2)10(16)12-5-3-4-9(11)15/h6H,3-5H2,1-2H3,(H,12,16)
InChIKeyJXPDPJBAVHEEJZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.00
Rot. Bonds5

About 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride (PubChem CID 19473967) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
PubChem CID19473967
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
SMILESCc1c(C(=O)NCCCC(=O)Cl)cnn1C
InChIInChI=1S/C10H14ClN3O2/c1-7-8(6-13-14(7)2)10(16)12-5-3-4-9(11)15/h6H,3-5H2,1-2H3,(H,12,16)
InChIKeyJXPDPJBAVHEEJZ-UHFFFAOYSA-N
XLogP1.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.00
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

N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106386535
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284540
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51092425
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352510

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride?
The IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride (CID 19473967) is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride.
What is the SMILES notation for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride?
The canonical SMILES for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride is Cc1c(C(=O)NCCCC(=O)Cl)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride?
The InChIKey is JXPDPJBAVHEEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7-8(6-13-14(7)2)10(16)12-5-3-4-9(11)15/h6H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride?
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride has a molecular weight of 243.69 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride is sourced from PubChem (CID 19473967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).