methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate

C11H15N3O3 — CID 166256942

IUPACmethyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]nc(NC(=O)C2(C)CC2)c1C
InChIInChI=1S/C11H15N3O3/c1-6-7(9(15)17-3)13-14-8(6)12-10(16)11(2)4-5-11/h4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeySTZROODATWRUFW-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.24
Rot. Bonds3

About methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate

methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate (PubChem CID 166256942) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate
PubChem CID166256942
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]nc(NC(=O)C2(C)CC2)c1C
InChIInChI=1S/C11H15N3O3/c1-6-7(9(15)17-3)13-14-8(6)12-10(16)11(2)4-5-11/h4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeySTZROODATWRUFW-UHFFFAOYSA-N
XLogP1.24
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-acetamido-1H-pyrazole-5-carboxylate
CID 58810185
ethyl 4-methyl-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]-1H-pyrazole-5-carboxylate
CID 164632224
ethyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrazole-5-carboxylate
CID 68391615
ethyl 3-(2,2-dimethylpropylamino)-4-fluoro-1H-pyrazole-5-carboxylate
CID 156890618
ethyl 3-[[(1S,2S)-2-(difluoromethyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylate
CID 100747422
4-methyl-3-(2,2,2-trifluoroacetamido)-1H-pyrazole-5-carboxylic acid
CID 165942581
ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate
CID 12044398
Methyl 5-acetamido-1H-pyrazole-3-carboxylate
CID 44598168
methyl 3-acetamido-4-acetyl-1H-pyrazole-5-carboxylate
CID 59773525
methyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate
CID 59773568
ethyl 4-methyl-3-(methylamino)-1H-pyrazole-5-carboxylate
CID 68349881
methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate
CID 70344682

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate (CID 166256942) is methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]nc(NC(=O)C2(C)CC2)c1C.
What is the InChIKey of methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate?
The InChIKey is STZROODATWRUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-7(9(15)17-3)13-14-8(6)12-10(16)11(2)4-5-11/h4-5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate?
methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 166256942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).