N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide

C16H17ClN4O2 — CID 18205048

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3c(C)nn(C)c3Cl)ccc21
InChIInChI=1S/C16H17ClN4O2/c1-9-14(15(17)20(3)19-9)16(23)18-12-4-5-13-11(8-12)6-7-21(13)10(2)22/h4-5,8H,6-7H2,1-3H3,(H,18,23)
InChIKeyVGODSPZYCDFPCR-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.54
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 18205048) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID18205048
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3c(C)nn(C)c3Cl)ccc21
InChIInChI=1S/C16H17ClN4O2/c1-9-14(15(17)20(3)19-9)16(23)18-12-4-5-13-11(8-12)6-7-21(13)10(2)22/h4-5,8H,6-7H2,1-3H3,(H,18,23)
InChIKeyVGODSPZYCDFPCR-UHFFFAOYSA-N
XLogP2.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967
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CID 24624601
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 51205594
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
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1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 71936135
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
CID 35805071
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
CID 17453567

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide (CID 18205048) is N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide is CC(=O)N1CCc2cc(NC(=O)c3c(C)nn(C)c3Cl)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VGODSPZYCDFPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-9-14(15(17)20(3)19-9)16(23)18-12-4-5-13-11(8-12)6-7-21(13)10(2)22/h4-5,8H,6-7H2,1-3H3,(H,18,23).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 18205048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).