[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate

C18H19N5O2 — CID 75393505

IUPAC[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cnn1-c1ccncc1
InChIInChI=1S/C18H19N5O2/c1-13-15(12-21-23(13)14-6-9-19-10-7-14)18(24)25-17-5-2-4-16(17)22-11-3-8-20-22/h3,6-12,16-17H,2,4-5H2,1H3/t16-,17-/m1/s1
InChIKeyXSYBRNDAFKSFHI-IAGOWNOFSA-N
MW337.38 g/mol
LogP2.72
Rot. Bonds4

About [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate

[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate (PubChem CID 75393505) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate
PubChem CID75393505
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cnn1-c1ccncc1
InChIInChI=1S/C18H19N5O2/c1-13-15(12-21-23(13)14-6-9-19-10-7-14)18(24)25-17-5-2-4-16(17)22-11-3-8-20-22/h3,6-12,16-17H,2,4-5H2,1H3/t16-,17-/m1/s1
InChIKeyXSYBRNDAFKSFHI-IAGOWNOFSA-N
XLogP2.72
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate?
The IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate (CID 75393505) is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate is Cc1c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cnn1-c1ccncc1.
What is the InChIKey of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate?
The InChIKey is XSYBRNDAFKSFHI-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-15(12-21-23(13)14-6-9-19-10-7-14)18(24)25-17-5-2-4-16(17)22-11-3-8-20-22/h3,6-12,16-17H,2,4-5H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate?
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 75393505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).