ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate

C14H24N4O3 — CID 14500734

IUPACethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NCCCN2CCOCC2)n[nH]c1C
InChIInChI=1S/C14H24N4O3/c1-3-21-14(19)12-11(2)16-17-13(12)15-5-4-6-18-7-9-20-10-8-18/h3-10H2,1-2H3,(H2,15,16,17)
InChIKeyHSCIRHPBEOOTLC-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.03
Rot. Bonds7

About ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate

ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate (PubChem CID 14500734) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate
PubChem CID14500734
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NCCCN2CCOCC2)n[nH]c1C
InChIInChI=1S/C14H24N4O3/c1-3-21-14(19)12-11(2)16-17-13(12)15-5-4-6-18-7-9-20-10-8-18/h3-10H2,1-2H3,(H2,15,16,17)
InChIKeyHSCIRHPBEOOTLC-UHFFFAOYSA-N
XLogP1.03
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371215
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
ethyl 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)propylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20925012
ethyl 7,8-dichloro-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
CID 2790720
ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
CID 83038145
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 5-formyl-4-methyl-2-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 143553269
ethyl 2,4-dimethyl-5-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 50787533
ethyl 6-methyl-2-[[2-(3-morpholin-4-ylpropylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4990426
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate (CID 14500734) is ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(NCCCN2CCOCC2)n[nH]c1C.
What is the InChIKey of ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is HSCIRHPBEOOTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-21-14(19)12-11(2)16-17-13(12)15-5-4-6-18-7-9-20-10-8-18/h3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate?
ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 14500734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).