methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate

C16H21N5O4 — CID 31855775

IUPACmethyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
SMILESCCc1c(C(=O)NCCCC(=O)OC)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C16H21N5O4/c1-4-12-11(16(23)17-9-5-6-15(22)25-3)10-18-21(12)13-7-8-14(24-2)20-19-13/h7-8,10H,4-6,9H2,1-3H3,(H,17,23)
InChIKeyMVFJXASGCBAVAO-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.92
Rot. Bonds8

About methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate

methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate (PubChem CID 31855775) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
PubChem CID31855775
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Namemethyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
SMILESCCc1c(C(=O)NCCCC(=O)OC)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C16H21N5O4/c1-4-12-11(16(23)17-9-5-6-15(22)25-3)10-18-21(12)13-7-8-14(24-2)20-19-13/h7-8,10H,4-6,9H2,1-3H3,(H,17,23)
InChIKeyMVFJXASGCBAVAO-UHFFFAOYSA-N
XLogP0.92
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31908758
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 39316484
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46482900
5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46589301
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]methanone
CID 31851380
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 31860015
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 47056329
N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31885461

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate?
The IUPAC name of methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate (CID 31855775) is methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate?
The canonical SMILES for methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate is CCc1c(C(=O)NCCCC(=O)OC)cnn1-c1ccc(OC)nn1.
What is the InChIKey of methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate?
The InChIKey is MVFJXASGCBAVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-4-12-11(16(23)17-9-5-6-15(22)25-3)10-18-21(12)13-7-8-14(24-2)20-19-13/h7-8,10H,4-6,9H2,1-3H3,(H,17,23).
What are the key properties of methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate?
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate has a molecular weight of 347.38 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate is sourced from PubChem (CID 31855775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).