methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate

C14H19N5O3 — CID 19474420

IUPACmethyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
SMILESCCn1cc(C(=O)Nc2cn(CC)nc2C(=O)OC)c(C)n1
InChIInChI=1S/C14H19N5O3/c1-5-18-7-10(9(3)16-18)13(20)15-11-8-19(6-2)17-12(11)14(21)22-4/h7-8H,5-6H2,1-4H3,(H,15,20)
InChIKeyHBGUOMNZLCFHQG-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.47
Rot. Bonds5

About methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate

methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate (PubChem CID 19474420) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
PubChem CID19474420
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Namemethyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
SMILESCCn1cc(C(=O)Nc2cn(CC)nc2C(=O)OC)c(C)n1
InChIInChI=1S/C14H19N5O3/c1-5-18-7-10(9(3)16-18)13(20)15-11-8-19(6-2)17-12(11)14(21)22-4/h7-8H,5-6H2,1-4H3,(H,15,20)
InChIKeyHBGUOMNZLCFHQG-UHFFFAOYSA-N
XLogP1.47
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19281718
methyl 4-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19480542
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063
methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
methyl 4-[[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19268071
methyl 1-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19414239
methyl 4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19557921
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate (CID 19474420) is methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate is CCn1cc(C(=O)Nc2cn(CC)nc2C(=O)OC)c(C)n1.
What is the InChIKey of methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The InChIKey is HBGUOMNZLCFHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-5-18-7-10(9(3)16-18)13(20)15-11-8-19(6-2)17-12(11)14(21)22-4/h7-8H,5-6H2,1-4H3,(H,15,20).
What are the key properties of methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate is sourced from PubChem (CID 19474420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).