[(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C18H20FN5O — CID 121279746

IUPAC[(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4c(F)cccc43)C2)n[nH]1
InChIInChI=1S/C18H20FN5O/c1-11(2)15-8-16(22-21-15)18(25)23-7-6-12(10-23)24-17-5-3-4-14(19)13(17)9-20-24/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyHLXDUAZYMLTSNI-GFCCVEGCSA-N
MW341.39 g/mol
LogP3.11
Rot. Bonds3

About [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279746) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279746
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name[(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4c(F)cccc43)C2)n[nH]1
InChIInChI=1S/C18H20FN5O/c1-11(2)15-8-16(22-21-15)18(25)23-7-6-12(10-23)24-17-5-3-4-14(19)13(17)9-20-24/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyHLXDUAZYMLTSNI-GFCCVEGCSA-N
XLogP3.11
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279746) is [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4c(F)cccc43)C2)n[nH]1.
What is the InChIKey of [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is HLXDUAZYMLTSNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-11(2)15-8-16(22-21-15)18(25)23-7-6-12(10-23)24-17-5-3-4-14(19)13(17)9-20-24/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 341.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluoroindazol-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).