methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate

C14H19N5O3 — CID 19281718

IUPACmethyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(=O)OC)n1
InChIInChI=1S/C14H19N5O3/c1-6-19-7-10(12(17-19)14(21)22-5)15-13(20)11-8(2)16-18(4)9(11)3/h7H,6H2,1-5H3,(H,15,20)
InChIKeyOLUIXZJJISDPQD-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.29
Rot. Bonds4

About methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate

methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate (PubChem CID 19281718) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
PubChem CID19281718
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Namemethyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(=O)OC)n1
InChIInChI=1S/C14H19N5O3/c1-6-19-7-10(12(17-19)14(21)22-5)15-13(20)11-8(2)16-18(4)9(11)3/h7H,6H2,1-5H3,(H,15,20)
InChIKeyOLUIXZJJISDPQD-UHFFFAOYSA-N
XLogP1.29
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281731
methyl 4-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19480542
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773
methyl 4-[[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19268071
propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19404390
methyl 4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19557921
methyl 4-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748175
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063
methyl 4-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19517919
methyl 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19520772
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate (CID 19281718) is methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate is CCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(=O)OC)n1.
What is the InChIKey of methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
The InChIKey is OLUIXZJJISDPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-6-19-7-10(12(17-19)14(21)22-5)15-13(20)11-8(2)16-18(4)9(11)3/h7H,6H2,1-5H3,(H,15,20).
What are the key properties of methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate?
methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate is sourced from PubChem (CID 19281718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).