8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C16H19N5O2S — CID 136569953

IUPAC8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N1c2ncccc2N2CCC1C2
InChIInChI=1S/C16H19N5O2S/c1-19-15(9-13(18-19)11-4-5-11)24(22,23)21-12-6-8-20(10-12)14-3-2-7-17-16(14)21/h2-3,7,9,11-12H,4-6,8,10H2,1H3
InChIKeyDLMAXULKLRERGK-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.48
Rot. Bonds3

About 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 136569953) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID136569953
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N1c2ncccc2N2CCC1C2
InChIInChI=1S/C16H19N5O2S/c1-19-15(9-13(18-19)11-4-5-11)24(22,23)21-12-6-8-20(10-12)14-3-2-7-17-16(14)21/h2-3,7,9,11-12H,4-6,8,10H2,1H3
InChIKeyDLMAXULKLRERGK-UHFFFAOYSA-N
XLogP1.48
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(9S)-5-chloro-8-(2-methylpyrazol-3-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 154765930
(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175980942
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
CID 141216188
(4aR,7aS)-4-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]oxazine
CID 166259306
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanol
CID 79044202
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79044078
N-cyclopropyl-1-(2-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 79043433
5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 155002021
3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide
CID 155955079
2-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-methylpyridine
CID 121184455
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 127310250

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 136569953) is 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Cn1nc(C2CC2)cc1S(=O)(=O)N1c2ncccc2N2CCC1C2.
What is the InChIKey of 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is DLMAXULKLRERGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-19-15(9-13(18-19)11-4-5-11)24(22,23)21-12-6-8-20(10-12)14-3-2-7-17-16(14)21/h2-3,7,9,11-12H,4-6,8,10H2,1H3.
What are the key properties of 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 345.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 136569953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).