(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C13H22N4O2 — CID 62075457

IUPAC(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCCCc1[nH]nc(C(=O)N2CC(C)OCC2C)c1N
InChIInChI=1S/C13H22N4O2/c1-4-5-10-11(14)12(16-15-10)13(18)17-6-9(3)19-7-8(17)2/h8-9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyBGACTROKFVLONI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.19
Rot. Bonds3

About (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 62075457) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID62075457
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCCCc1[nH]nc(C(=O)N2CC(C)OCC2C)c1N
InChIInChI=1S/C13H22N4O2/c1-4-5-10-11(14)12(16-15-10)13(18)17-6-9(3)19-7-8(17)2/h8-9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyBGACTROKFVLONI-UHFFFAOYSA-N
XLogP1.19
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 62075457) is (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CCCc1[nH]nc(C(=O)N2CC(C)OCC2C)c1N.
What is the InChIKey of (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is BGACTROKFVLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-10-11(14)12(16-15-10)13(18)17-6-9(3)19-7-8(17)2/h8-9H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62075457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).