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

C18H20FN5O — CID 121279744

IUPAC[(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3cc4c(F)cccc4n3)C2)n[nH]1
InChIInChI=1S/C18H20FN5O/c1-11(2)16-8-17(21-20-16)18(25)23-7-6-12(9-23)24-10-13-14(19)4-3-5-15(13)22-24/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyCTDFWMZSABWUDQ-GFCCVEGCSA-N
MW341.39 g/mol
LogP3.11
Rot. Bonds3

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

[(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279744) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279744
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name[(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3cc4c(F)cccc4n3)C2)n[nH]1
InChIInChI=1S/C18H20FN5O/c1-11(2)16-8-17(21-20-16)18(25)23-7-6-12(9-23)24-10-13-14(19)4-3-5-15(13)22-24/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyCTDFWMZSABWUDQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279744) is [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CC[C@@H](n3cc4c(F)cccc4n3)C2)n[nH]1.
What is the InChIKey of [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is CTDFWMZSABWUDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-11(2)16-8-17(21-20-16)18(25)23-7-6-12(9-23)24-10-13-14(19)4-3-5-15(13)22-24/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of [(3R)-3-(4-fluoroindazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(3R)-3-(4-fluoroindazol-2-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-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).