(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone

C15H19N5O — CID 121279607

IUPAC(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccncn3)C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(2)13-7-14(19-18-13)15(21)20-6-4-11(8-20)12-3-5-16-9-17-12/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,18,19)
InChIKeySCNDVEPDBBTDTJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.95
Rot. Bonds3

About (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone

(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 121279607) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID121279607
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccncn3)C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(2)13-7-14(19-18-13)15(21)20-6-4-11(8-20)12-3-5-16-9-17-12/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,18,19)
InChIKeySCNDVEPDBBTDTJ-UHFFFAOYSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone (CID 121279607) is (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCC(c3ccncn3)C2)n[nH]1.
What is the InChIKey of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is SCNDVEPDBBTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)13-7-14(19-18-13)15(21)20-6-4-11(8-20)12-3-5-16-9-17-12/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,18,19).
What are the key properties of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyrimidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 121279607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).