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

C12H15N5O3 — CID 19342092

IUPACmethyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cnn(C)c2C)cnn1C
InChIInChI=1S/C12H15N5O3/c1-7-8(5-13-16(7)2)11(18)15-9-6-14-17(3)10(9)12(19)20-4/h5-6H,1-4H3,(H,15,18)
InChIKeyUKQPNDXLDUOPJA-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.50
Rot. Bonds3

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

methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate (PubChem CID 19342092) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
PubChem CID19342092
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Namemethyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cnn(C)c2C)cnn1C
InChIInChI=1S/C12H15N5O3/c1-7-8(5-13-16(7)2)11(18)15-9-6-14-17(3)10(9)12(19)20-4/h5-6H,1-4H3,(H,15,18)
InChIKeyUKQPNDXLDUOPJA-UHFFFAOYSA-N
XLogP0.50
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate
CID 19342061
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 172631678
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264647
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate (CID 19342092) is methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)c2cnn(C)c2C)cnn1C.
What is the InChIKey of methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate?
The InChIKey is UKQPNDXLDUOPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-7-8(5-13-16(7)2)11(18)15-9-6-14-17(3)10(9)12(19)20-4/h5-6H,1-4H3,(H,15,18).
What are the key properties of methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate?
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19342092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).