[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone

C19H24N4O2 — CID 154785572

IUPAC[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone
SMILESNc1cn[nH]c1C1CCN(C(=O)c2ccc(C3CCOCC3)cc2)C1
InChIInChI=1S/C19H24N4O2/c20-17-11-21-22-18(17)16-5-8-23(12-16)19(24)15-3-1-13(2-4-15)14-6-9-25-10-7-14/h1-4,11,14,16H,5-10,12,20H2,(H,21,22)
InChIKeyOUEOFKZYKPFCIZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds3

About [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone

[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone (PubChem CID 154785572) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone
PubChem CID154785572
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone
SMILESNc1cn[nH]c1C1CCN(C(=O)c2ccc(C3CCOCC3)cc2)C1
InChIInChI=1S/C19H24N4O2/c20-17-11-21-22-18(17)16-5-8-23(12-16)19(24)15-3-1-13(2-4-15)14-6-9-25-10-7-14/h1-4,11,14,16H,5-10,12,20H2,(H,21,22)
InChIKeyOUEOFKZYKPFCIZ-UHFFFAOYSA-N
XLogP2.52
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone?
The IUPAC name of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone (CID 154785572) is [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone.
What is the SMILES notation for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone?
The canonical SMILES for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone is Nc1cn[nH]c1C1CCN(C(=O)c2ccc(C3CCOCC3)cc2)C1.
What is the InChIKey of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone?
The InChIKey is OUEOFKZYKPFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-17-11-21-22-18(17)16-5-8-23(12-16)19(24)15-3-1-13(2-4-15)14-6-9-25-10-7-14/h1-4,11,14,16H,5-10,12,20H2,(H,21,22).
What are the key properties of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone?
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone is sourced from PubChem (CID 154785572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).