methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate

C12H17N3O3 — CID 71922811

IUPACmethyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(C)[nH]n1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-7-5-10(15-14-7)12(17)13-9(8-3-4-8)6-11(16)18-2/h5,8-9H,3-4,6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyPXLUGFMJENSUBQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.79
Rot. Bonds5

About methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate

methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate (PubChem CID 71922811) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate
PubChem CID71922811
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(C)[nH]n1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-7-5-10(15-14-7)12(17)13-9(8-3-4-8)6-11(16)18-2/h5,8-9H,3-4,6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyPXLUGFMJENSUBQ-UHFFFAOYSA-N
XLogP0.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate (CID 71922811) is methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1cc(C)[nH]n1)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate?
The InChIKey is PXLUGFMJENSUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-5-10(15-14-7)12(17)13-9(8-3-4-8)6-11(16)18-2/h5,8-9H,3-4,6H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate?
methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate has a molecular weight of 251.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 71922811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).