N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C14H19N5O2S — CID 154764538

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ncc2c(n1)CCC2
InChIInChI=1S/C14H19N5O2S/c1-9-14(10(2)19(3)18-9)22(20,21)16-8-13-15-7-11-5-4-6-12(11)17-13/h7,16H,4-6,8H2,1-3H3
InChIKeySWZHDHGMMPIUPS-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.79
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 154764538) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID154764538
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ncc2c(n1)CCC2
InChIInChI=1S/C14H19N5O2S/c1-9-14(10(2)19(3)18-9)22(20,21)16-8-13-15-7-11-5-4-6-12(11)17-13/h7,16H,4-6,8H2,1-3H3
InChIKeySWZHDHGMMPIUPS-UHFFFAOYSA-N
XLogP0.79
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
1,3,5-trimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-sulfonamide
CID 90614074
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide
CID 126832327
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71808656
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 167794277
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 90615454
3-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 122569765
N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 26328344

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 154764538) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1ncc2c(n1)CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is SWZHDHGMMPIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9-14(10(2)19(3)18-9)22(20,21)16-8-13-15-7-11-5-4-6-12(11)17-13/h7,16H,4-6,8H2,1-3H3.
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 321.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 154764538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).