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

C13H17N5O3 — CID 95748815

IUPACmethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCCn1ccc(C(=O)Nc2c(C)nn(C)c2C(=O)OC)n1
InChIInChI=1S/C13H17N5O3/c1-5-18-7-6-9(16-18)12(19)14-10-8(2)15-17(3)11(10)13(20)21-4/h6-7H,5H2,1-4H3,(H,14,19)
InChIKeySZXOGLNDSBPIBP-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.98
Rot. Bonds4

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

methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 95748815) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
PubChem CID95748815
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Namemethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCCn1ccc(C(=O)Nc2c(C)nn(C)c2C(=O)OC)n1
InChIInChI=1S/C13H17N5O3/c1-5-18-7-6-9(16-18)12(19)14-10-8(2)15-17(3)11(10)13(20)21-4/h6-7H,5H2,1-4H3,(H,14,19)
InChIKeySZXOGLNDSBPIBP-UHFFFAOYSA-N
XLogP0.98
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748828
methyl 1,3-dimethyl-4-[(2,3,4,5,6-pentafluorobenzoyl)amino]pyrazole-5-carboxylate
CID 95749126
methyl 4-[(3-bromobenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749063
methyl 4-[(2-iodobenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749120
methyl 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748802
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19262165
4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19405969
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749032
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
methyl 1,3-dimethyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylate
CID 95749034

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate (CID 95748815) is methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate is CCn1ccc(C(=O)Nc2c(C)nn(C)c2C(=O)OC)n1.
What is the InChIKey of methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is SZXOGLNDSBPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-5-18-7-6-9(16-18)12(19)14-10-8(2)15-17(3)11(10)13(20)21-4/h6-7H,5H2,1-4H3,(H,14,19).
What are the key properties of methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 95748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).