methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate

C13H16ClN5O3 — CID 19342289

IUPACmethyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)(C)n2cc(Cl)cn2)cnn1C
InChIInChI=1S/C13H16ClN5O3/c1-13(2,19-7-8(14)5-16-19)12(21)17-9-6-15-18(3)10(9)11(20)22-4/h5-7H,1-4H3,(H,17,21)
InChIKeyGASIWOMELJIVEQ-UHFFFAOYSA-N
MW325.76 g/mol
LogP1.43
Rot. Bonds4

About methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate

methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate (PubChem CID 19342289) has the molecular formula C13H16ClN5O3 and a molecular weight of 325.76 g/mol. Its IUPAC name is methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate
PubChem CID19342289
Molecular FormulaC13H16ClN5O3
Molecular Weight325.76 g/mol
Exact Mass325.09
IUPAC Namemethyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)(C)n2cc(Cl)cn2)cnn1C
InChIInChI=1S/C13H16ClN5O3/c1-13(2,19-7-8(14)5-16-19)12(21)17-9-6-15-18(3)10(9)11(20)22-4/h5-7H,1-4H3,(H,17,21)
InChIKeyGASIWOMELJIVEQ-UHFFFAOYSA-N
XLogP1.43
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide
CID 164658758
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092
methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate
CID 19342061
methyl 2-[[4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406835
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
CID 19412294
methyl 4-[(4-chloro-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342342
methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342140
4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400558
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
methyl 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748802

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate (CID 19342289) is methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)C(C)(C)n2cc(Cl)cn2)cnn1C.
What is the InChIKey of methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate?
The InChIKey is GASIWOMELJIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O3/c1-13(2,19-7-8(14)5-16-19)12(21)17-9-6-15-18(3)10(9)11(20)22-4/h5-7H,1-4H3,(H,17,21).
What are the key properties of methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate?
methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate has a molecular weight of 325.76 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19342289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).