2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide

C18H20ClN3O — CID 175033378

IUPAC2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
SMILESCC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)n1cc(Cl)cn1
InChIInChI=1S/C18H20ClN3O/c1-11(22-10-14(19)9-20-22)18(23)21-17-15-6-2-4-12(15)8-13-5-3-7-16(13)17/h8-11H,2-7H2,1H3,(H,21,23)
InChIKeyMWIUZXXVIFWEPB-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.71
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide

2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide (PubChem CID 175033378) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
PubChem CID175033378
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
SMILESCC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)n1cc(Cl)cn1
InChIInChI=1S/C18H20ClN3O/c1-11(22-10-14(19)9-20-22)18(23)21-17-15-6-2-4-12(15)8-13-5-3-7-16(13)17/h8-11H,2-7H2,1H3,(H,21,23)
InChIKeyMWIUZXXVIFWEPB-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide with MolForge

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 19538420
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721
diethyl-[(2S)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1-oxopropan-2-yl]azanium
CID 6947938
N-(2-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909999
N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538442
methyl 2-[2-(4-chloropyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate
CID 19538491
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide (CID 175033378) is 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide is CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide?
The InChIKey is MWIUZXXVIFWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-11(22-10-14(19)9-20-22)18(23)21-17-15-6-2-4-12(15)8-13-5-3-7-16(13)17/h8-11H,2-7H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide?
2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide has a molecular weight of 329.83 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide is sourced from PubChem (CID 175033378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).