(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C13H22N4O2 — CID 62075873

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c(C(C)C)c2N)CC(C)O1
InChIInChI=1S/C13H22N4O2/c1-7(2)11-10(14)12(16-15-11)13(18)17-5-8(3)19-9(4)6-17/h7-9H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyZZGURAIZDLDXJK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds2

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 62075873) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID62075873
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c(C(C)C)c2N)CC(C)O1
InChIInChI=1S/C13H22N4O2/c1-7(2)11-10(14)12(16-15-11)13(18)17-5-8(3)19-9(4)6-17/h7-9H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyZZGURAIZDLDXJK-UHFFFAOYSA-N
XLogP1.36
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 62076034
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209805
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623797
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62075582
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603103
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210661
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931530
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-1-methylpiperazin-2-one
CID 64682975
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82012290
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one
CID 63596627
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062261

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 62075873) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2n[nH]c(C(C)C)c2N)CC(C)O1.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZZGURAIZDLDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-7(2)11-10(14)12(16-15-11)13(18)17-5-8(3)19-9(4)6-17/h7-9H,5-6,14H2,1-4H3,(H,15,16).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 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)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62075873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).