N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

C24H32N4O3S — CID 153337681

IUPACN-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCC(c1cc(S(=O)(=O)NC(=O)Cc2c3c(cc4c2CCC4)CCC3)nn1C1CC1)N(C)C
InChIInChI=1S/C24H32N4O3S/c1-15(27(2)3)22-14-24(25-28(22)18-10-11-18)32(30,31)26-23(29)13-21-19-8-4-6-16(19)12-17-7-5-9-20(17)21/h12,14-15,18H,4-11,13H2,1-3H3,(H,26,29)
InChIKeyBURHGZWXOPWOEZ-UHFFFAOYSA-N
MW456.61 g/mol
LogP2.87
Rot. Bonds7

About N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (PubChem CID 153337681) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
PubChem CID153337681
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCC(c1cc(S(=O)(=O)NC(=O)Cc2c3c(cc4c2CCC4)CCC3)nn1C1CC1)N(C)C
InChIInChI=1S/C24H32N4O3S/c1-15(27(2)3)22-14-24(25-28(22)18-10-11-18)32(30,31)26-23(29)13-21-19-8-4-6-16(19)12-17-7-5-9-20(17)21/h12,14-15,18H,4-11,13H2,1-3H3,(H,26,29)
InChIKeyBURHGZWXOPWOEZ-UHFFFAOYSA-N
XLogP2.87
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-Cyclopropyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137512831
US11530200, Example 16
CID 150256271
US11530200, Example 19
CID 156082468
US11530200, Example 12
CID 156082473
US11530200, Example 14
CID 156082772
1-[5-[[2-Fluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137512381
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylacetamide
CID 147151582
N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
CID 147191382
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
CID 147763932
3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
CID 150871838
N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
CID 153337667
N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
CID 153337669

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The IUPAC name of N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (CID 153337681) is N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.
What is the SMILES notation for N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The canonical SMILES for N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is CC(c1cc(S(=O)(=O)NC(=O)Cc2c3c(cc4c2CCC4)CCC3)nn1C1CC1)N(C)C.
What is the InChIKey of N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The InChIKey is BURHGZWXOPWOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-15(27(2)3)22-14-24(25-28(22)18-10-11-18)32(30,31)26-23(29)13-21-19-8-4-6-16(19)12-17-7-5-9-20(17)21/h12,14-15,18H,4-11,13H2,1-3H3,(H,26,29).
What are the key properties of N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide has a molecular weight of 456.61 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is sourced from PubChem (CID 153337681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).