methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate

C16H20N6O4 — CID 95748286

IUPACmethyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(C)n1
InChIInChI=1S/C16H20N6O4/c1-8-12(13(16(25)26-4)20-21(8)2)18-15(24)10-7-11(22(3)19-10)17-14(23)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,17,23)(H,18,24)
InChIKeyYFQJFAMZGSNKGB-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.85
Rot. Bonds5

About methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate

methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 95748286) has the molecular formula C16H20N6O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
PubChem CID95748286
Molecular FormulaC16H20N6O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Namemethyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(C)n1
InChIInChI=1S/C16H20N6O4/c1-8-12(13(16(25)26-4)20-21(8)2)18-15(24)10-7-11(22(3)19-10)17-14(23)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,17,23)(H,18,24)
InChIKeyYFQJFAMZGSNKGB-UHFFFAOYSA-N
XLogP0.85
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate with MolForge

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Related Compounds

4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747925
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
methyl 1,5-dimethyl-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748248
5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 51999836
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
methyl 4-[(2-chloro-4,5-difluorobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748394
methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 110280729
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
methyl 1,5-dimethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748149
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
methyl 4-[(2,4-difluorobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748401

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate (CID 95748286) is methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(C)n1.
What is the InChIKey of methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is YFQJFAMZGSNKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4/c1-8-12(13(16(25)26-4)20-21(8)2)18-15(24)10-7-11(22(3)19-10)17-14(23)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,17,23)(H,18,24).
What are the key properties of methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 95748286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).