N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H19N5O3S — CID 97263711

IUPACN-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3c2CCC3)n([C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H19N5O3S/c1-9-7-13(20(19-9)10-5-6-24(22,23)8-10)16-15(21)14-11-3-2-4-12(11)17-18-14/h7,10H,2-6,8H2,1H3,(H,16,21)(H,17,18)/t10-/m1/s1
InChIKeyVNBJGYVDOVTZTB-SNVBAGLBSA-N
MW349.42 g/mol
LogP1.02
Rot. Bonds3

About N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 97263711) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID97263711
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3c2CCC3)n([C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H19N5O3S/c1-9-7-13(20(19-9)10-5-6-24(22,23)8-10)16-15(21)14-11-3-2-4-12(11)17-18-14/h7,10H,2-6,8H2,1H3,(H,16,21)(H,17,18)/t10-/m1/s1
InChIKeyVNBJGYVDOVTZTB-SNVBAGLBSA-N
XLogP1.02
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 97263711) is N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1cc(NC(=O)c2n[nH]c3c2CCC3)n([C@@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VNBJGYVDOVTZTB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-9-7-13(20(19-9)10-5-6-24(22,23)8-10)16-15(21)14-11-3-2-4-12(11)17-18-14/h7,10H,2-6,8H2,1H3,(H,16,21)(H,17,18)/t10-/m1/s1.
What are the key properties of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 97263711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).