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

C13H20N4O2 — CID 62078266

IUPAC(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2n[nH]c(C3CC3)c2N)CCO1
InChIInChI=1S/C13H20N4O2/c1-13(2)7-17(5-6-19-13)12(18)11-9(14)10(15-16-11)8-3-4-8/h8H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyGRVVISQXWGSEBC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.12
Rot. Bonds2

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

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 62078266) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID62078266
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2n[nH]c(C3CC3)c2N)CCO1
InChIInChI=1S/C13H20N4O2/c1-13(2)7-17(5-6-19-13)12(18)11-9(14)10(15-16-11)8-3-4-8/h8H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyGRVVISQXWGSEBC-UHFFFAOYSA-N
XLogP1.12
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 62078266) is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2n[nH]c(C3CC3)c2N)CCO1.
What is the InChIKey of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is GRVVISQXWGSEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2)7-17(5-6-19-13)12(18)11-9(14)10(15-16-11)8-3-4-8/h8H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62078266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).