methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate

C14H23N3O3 — CID 61032488

IUPACmethyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
SMILESCCn1nc(C(C)C)cc1C(=O)N(C)CCC(=O)OC
InChIInChI=1S/C14H23N3O3/c1-6-17-12(9-11(15-17)10(2)3)14(19)16(4)8-7-13(18)20-5/h9-10H,6-8H2,1-5H3
InChIKeyDJSYGBTXPDWKOP-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.66
Rot. Bonds6

About methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate

methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate (PubChem CID 61032488) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
PubChem CID61032488
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
SMILESCCn1nc(C(C)C)cc1C(=O)N(C)CCC(=O)OC
InChIInChI=1S/C14H23N3O3/c1-6-17-12(9-11(15-17)10(2)3)14(19)16(4)8-7-13(18)20-5/h9-10H,6-8H2,1-5H3
InChIKeyDJSYGBTXPDWKOP-UHFFFAOYSA-N
XLogP1.66
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
methyl (2R)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 162667765
methyl (2S)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 162668127
methyl (2R)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 162672230
ethyl 1-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-piperidinecarboxylate
CID 2813428
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 49790489
Carbamic acid, N-[[5-(aminocarbonyl)-1-methyl-1H-pyrazol-3-yl]methyl]-N-methyl-, 1,1-dimethylethyl ester
CID 117810339
(3-Tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746450
3-[1-(3-Tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3251603
Ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate (CID 61032488) is methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate is CCn1nc(C(C)C)cc1C(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
The InChIKey is DJSYGBTXPDWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-17-12(9-11(15-17)10(2)3)14(19)16(4)8-7-13(18)20-5/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate?
methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate has a molecular weight of 281.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 61032488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).