(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

C12H20N4O2 — CID 107210661

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C12H20N4O2/c1-4-12(18)5-16(6-12)11(17)10-8(13)9(7(2)3)14-15-10/h7,18H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyBLSBQPDRGZDBSI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.71
Rot. Bonds3

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107210661) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107210661
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C12H20N4O2/c1-4-12(18)5-16(6-12)11(17)10-8(13)9(7(2)3)14-15-10/h7,18H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyBLSBQPDRGZDBSI-UHFFFAOYSA-N
XLogP0.71
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 107210661) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2n[nH]c(C(C)C)c2N)C1.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is BLSBQPDRGZDBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-12(18)5-16(6-12)11(17)10-8(13)9(7(2)3)14-15-10/h7,18H,4-6,13H2,1-3H3,(H,14,15).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107210661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).