methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate

C10H15N3O3 — CID 95748425

IUPACmethyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
SMILESCCC(=O)Nc1c(C(=O)OC)nn(C)c1C
InChIInChI=1S/C10H15N3O3/c1-5-7(14)11-8-6(2)13(3)12-9(8)10(15)16-4/h5H2,1-4H3,(H,11,14)
InChIKeyRQSZPYQCHVFVTA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.86
Rot. Bonds3

About methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate

methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate (PubChem CID 95748425) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
PubChem CID95748425
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
SMILESCCC(=O)Nc1c(C(=O)OC)nn(C)c1C
InChIInChI=1S/C10H15N3O3/c1-5-7(14)11-8-6(2)13(3)12-9(8)10(15)16-4/h5H2,1-4H3,(H,11,14)
InChIKeyRQSZPYQCHVFVTA-UHFFFAOYSA-N
XLogP0.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate
CID 110280744
methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748126
methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
methyl 4-[[2-(4-fluorophenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748123
methyl 4-(2-ethylhexanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 110280741
methyl 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748152
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
methyl 4-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748175
methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 95748327
methyl 1,5-dimethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748149
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate (CID 95748425) is methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate is CCC(=O)Nc1c(C(=O)OC)nn(C)c1C.
What is the InChIKey of methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate?
The InChIKey is RQSZPYQCHVFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-7(14)11-8-6(2)13(3)12-9(8)10(15)16-4/h5H2,1-4H3,(H,11,14).
What are the key properties of methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate?
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate is sourced from PubChem (CID 95748425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).