[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

C19H18F3N5O2 — CID 56528891

IUPAC[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCc1c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5O2/c1-12-14(11-25-27(12)17-7-6-13(10-23-17)19(20,21)22)18(28)29-16-5-2-4-15(16)26-9-3-8-24-26/h3,6-11,15-16H,2,4-5H2,1H3/t15-,16-/m1/s1
InChIKeyKGSWXQHLTWOVPP-HZPDHXFCSA-N
MW405.38 g/mol
LogP3.74
Rot. Bonds4

About [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 56528891) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID56528891
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCc1c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5O2/c1-12-14(11-25-27(12)17-7-6-13(10-23-17)19(20,21)22)18(28)29-16-5-2-4-15(16)26-9-3-8-24-26/h3,6-11,15-16H,2,4-5H2,1H3/t15-,16-/m1/s1
InChIKeyKGSWXQHLTWOVPP-HZPDHXFCSA-N
XLogP3.74
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate
CID 75393505
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 46512074
N-methyl-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 43064110
[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532607
N-methoxy-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46577649
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
[2-(carbamoylamino)-2-oxoethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31211449
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 46545407
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31212890
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate
CID 56528817
[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579254
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31213264

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (CID 56528891) is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is Cc1c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is KGSWXQHLTWOVPP-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-12-14(11-25-27(12)17-7-6-13(10-23-17)19(20,21)22)18(28)29-16-5-2-4-15(16)26-9-3-8-24-26/h3,6-11,15-16H,2,4-5H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 405.38 g/mol, XLogP of 3.74, 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-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 56528891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).