methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate

C13H20N4O4 — CID 104774373

IUPACmethyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate
SMILESCCCc1[nH]nc(C(=O)N2CCOCC2C(=O)OC)c1N
InChIInChI=1S/C13H20N4O4/c1-3-4-8-10(14)11(16-15-8)12(18)17-5-6-21-7-9(17)13(19)20-2/h9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyXYYVYZFGZGJUJI-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.04
Rot. Bonds4

About methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate

methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate (PubChem CID 104774373) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate
PubChem CID104774373
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Namemethyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate
SMILESCCCc1[nH]nc(C(=O)N2CCOCC2C(=O)OC)c1N
InChIInChI=1S/C13H20N4O4/c1-3-4-8-10(14)11(16-15-8)12(18)17-5-6-21-7-9(17)13(19)20-2/h9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyXYYVYZFGZGJUJI-UHFFFAOYSA-N
XLogP-0.04
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 62076260
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N-propylmorpholine-3-carboxamide
CID 83099524
1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 62075159
(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62075457
1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303
methyl 4-(3-amino-5-bromobenzoyl)morpholine-3-carboxylate
CID 104774362
methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115669971
4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 82741207
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421
methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate
CID 104775327

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate (CID 104774373) is methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate is CCCc1[nH]nc(C(=O)N2CCOCC2C(=O)OC)c1N.
What is the InChIKey of methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate?
The InChIKey is XYYVYZFGZGJUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-4-8-10(14)11(16-15-8)12(18)17-5-6-21-7-9(17)13(19)20-2/h9H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate?
methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate has a molecular weight of 296.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).