(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C10H16N4O2 — CID 103355021

IUPAC(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCn1ncc(N)c1C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H16N4O2/c1-10(16)3-4-14(6-10)9(15)8-7(11)5-12-13(8)2/h5,16H,3-4,6,11H2,1-2H3
InChIKeyACEVUHNJMAUYKA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.40
Rot. Bonds1

About (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103355021) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103355021
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCn1ncc(N)c1C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H16N4O2/c1-10(16)3-4-14(6-10)9(15)8-7(11)5-12-13(8)2/h5,16H,3-4,6,11H2,1-2H3
InChIKeyACEVUHNJMAUYKA-UHFFFAOYSA-N
XLogP-0.40
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103355021) is (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is Cn1ncc(N)c1C(=O)N1CCC(C)(O)C1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is ACEVUHNJMAUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(16)3-4-14(6-10)9(15)8-7(11)5-12-13(8)2/h5,16H,3-4,6,11H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103355021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).