N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C13H19N3O3 — CID 91786522

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H19N3O3/c1-18-11-7-19-6-5-10(11)14-13(17)12-8-3-2-4-9(8)15-16-12/h10-11H,2-7H2,1H3,(H,14,17)(H,15,16)/t10-,11-/m1/s1
InChIKeyOOPROAIIWONADK-GHMZBOCLSA-N
MW265.31 g/mol
LogP0.43
Rot. Bonds3

About N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 91786522) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID91786522
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H19N3O3/c1-18-11-7-19-6-5-10(11)14-13(17)12-8-3-2-4-9(8)15-16-12/h10-11H,2-7H2,1H3,(H,14,17)(H,15,16)/t10-,11-/m1/s1
InChIKeyOOPROAIIWONADK-GHMZBOCLSA-N
XLogP0.43
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 91786522) is N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is OOPROAIIWONADK-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-11-7-19-6-5-10(11)14-13(17)12-8-3-2-4-9(8)15-16-12/h10-11H,2-7H2,1H3,(H,14,17)(H,15,16)/t10-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 91786522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).