[(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C18H21N5O — CID 121279658

IUPAC[(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-12(2)15-9-16(21-20-15)18(24)22-8-7-14(11-22)23-17-6-4-3-5-13(17)10-19-23/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyFQVVHLCCNNXJAA-CQSZACIVSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds3

About [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279658) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279658
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-12(2)15-9-16(21-20-15)18(24)22-8-7-14(11-22)23-17-6-4-3-5-13(17)10-19-23/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyFQVVHLCCNNXJAA-CQSZACIVSA-N
XLogP2.97
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279658) is [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)n[nH]1.
What is the InChIKey of [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is FQVVHLCCNNXJAA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)15-9-16(21-20-15)18(24)22-8-7-14(11-22)23-17-6-4-3-5-13(17)10-19-23/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-indazol-1-ylpyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).