(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone

C24H32N4O3S — CID 55767641

IUPAC(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
SMILESCC(C)(C)n1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C1CC1
InChIInChI=1S/C24H32N4O3S/c1-24(2,3)28-22(18-7-8-18)16-21(25-28)23(29)26-11-13-27(14-12-26)32(30,31)20-10-9-17-5-4-6-19(17)15-20/h9-10,15-16,18H,4-8,11-14H2,1-3H3
InChIKeySWXKNSWGOKIZNQ-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.15
Rot. Bonds4

About (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone

(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone (PubChem CID 55767641) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
PubChem CID55767641
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
SMILESCC(C)(C)n1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C1CC1
InChIInChI=1S/C24H32N4O3S/c1-24(2,3)28-22(18-7-8-18)16-21(25-28)23(29)26-11-13-27(14-12-26)32(30,31)20-10-9-17-5-4-6-19(17)15-20/h9-10,15-16,18H,4-8,11-14H2,1-3H3
InChIKeySWXKNSWGOKIZNQ-UHFFFAOYSA-N
XLogP3.15
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110805388
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 55359518
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 8641292
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
ethyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799238
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119270351

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone (CID 55767641) is (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone is CC(C)(C)n1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C1CC1.
What is the InChIKey of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
The InChIKey is SWXKNSWGOKIZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-24(2,3)28-22(18-7-8-18)16-21(25-28)23(29)26-11-13-27(14-12-26)32(30,31)20-10-9-17-5-4-6-19(17)15-20/h9-10,15-16,18H,4-8,11-14H2,1-3H3.
What are the key properties of (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone?
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone has a molecular weight of 456.61 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55767641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).