methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate

C15H25N3O2 — CID 82695361

IUPACmethyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate
SMILESCCc1cc(CC)n(CCC(NC2CC2)C(=O)OC)n1
InChIInChI=1S/C15H25N3O2/c1-4-11-10-13(5-2)18(17-11)9-8-14(15(19)20-3)16-12-6-7-12/h10,12,14,16H,4-9H2,1-3H3
InChIKeyOURHSPOOHAACCL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds8

About methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate

methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate (PubChem CID 82695361) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate
PubChem CID82695361
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate
SMILESCCc1cc(CC)n(CCC(NC2CC2)C(=O)OC)n1
InChIInChI=1S/C15H25N3O2/c1-4-11-10-13(5-2)18(17-11)9-8-14(15(19)20-3)16-12-6-7-12/h10,12,14,16H,4-9H2,1-3H3
InChIKeyOURHSPOOHAACCL-UHFFFAOYSA-N
XLogP1.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate (CID 82695361) is methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate is CCc1cc(CC)n(CCC(NC2CC2)C(=O)OC)n1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate?
The InChIKey is OURHSPOOHAACCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-11-10-13(5-2)18(17-11)9-8-14(15(19)20-3)16-12-6-7-12/h10,12,14,16H,4-9H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate?
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate has a molecular weight of 279.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate is sourced from PubChem (CID 82695361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).