(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H22N4O2 — CID 112623813

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-12(11(14)8(2)15-17)13(19)16-6-5-10(7-16)9(3)18/h9-10,18H,4-7,14H2,1-3H3
InChIKeyRUVBZVMRGJDAMM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.64
Rot. Bonds3

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112623813) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112623813
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-12(11(14)8(2)15-17)13(19)16-6-5-10(7-16)9(3)18/h9-10,18H,4-7,14H2,1-3H3
InChIKeyRUVBZVMRGJDAMM-UHFFFAOYSA-N
XLogP0.64
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112623813) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CCn1nc(C)c(N)c1C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RUVBZVMRGJDAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-12(11(14)8(2)15-17)13(19)16-6-5-10(7-16)9(3)18/h9-10,18H,4-7,14H2,1-3H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112623813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).