4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride

C17H19ClN6O2 — CID 19414820

IUPAC4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
SMILESCCn1cc(-c2ccnc3c(C(=O)NCCCC(=O)Cl)cnn23)c(C)n1
InChIInChI=1S/C17H19ClN6O2/c1-3-23-10-13(11(2)22-23)14-6-8-19-16-12(9-21-24(14)16)17(26)20-7-4-5-15(18)25/h6,8-10H,3-5,7H2,1-2H3,(H,20,26)
InChIKeyWLLUXIQFCHFZJL-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.20
Rot. Bonds7

About 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride

4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride (PubChem CID 19414820) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride.

Molecular Properties

Compound Name4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
PubChem CID19414820
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
SMILESCCn1cc(-c2ccnc3c(C(=O)NCCCC(=O)Cl)cnn23)c(C)n1
InChIInChI=1S/C17H19ClN6O2/c1-3-23-10-13(11(2)22-23)14-6-8-19-16-12(9-21-24(14)16)17(26)20-7-4-5-15(18)25/h6,8-10H,3-5,7H2,1-2H3,(H,20,26)
InChIKeyWLLUXIQFCHFZJL-UHFFFAOYSA-N
XLogP2.20
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416490
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416507
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414772
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441308
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19441871

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride?
The IUPAC name of 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride (CID 19414820) is 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride.
What is the SMILES notation for 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride?
The canonical SMILES for 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride is CCn1cc(-c2ccnc3c(C(=O)NCCCC(=O)Cl)cnn23)c(C)n1.
What is the InChIKey of 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride?
The InChIKey is WLLUXIQFCHFZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c1-3-23-10-13(11(2)22-23)14-6-8-19-16-12(9-21-24(14)16)17(26)20-7-4-5-15(18)25/h6,8-10H,3-5,7H2,1-2H3,(H,20,26).
What are the key properties of 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride?
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride has a molecular weight of 374.83 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride is sourced from PubChem (CID 19414820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).