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

C16H27N3O2 — CID 82699135

IUPACmethyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
SMILESCCc1cc(CC)n(CCC(C)(NC2CC2)C(=O)OC)n1
InChIInChI=1S/C16H27N3O2/c1-5-12-11-14(6-2)19(18-12)10-9-16(3,15(20)21-4)17-13-7-8-13/h11,13,17H,5-10H2,1-4H3
InChIKeyYMKCWHHASFLLSG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.08
Rot. Bonds8

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

methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate (PubChem CID 82699135) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
PubChem CID82699135
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Namemethyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
SMILESCCc1cc(CC)n(CCC(C)(NC2CC2)C(=O)OC)n1
InChIInChI=1S/C16H27N3O2/c1-5-12-11-14(6-2)19(18-12)10-9-16(3,15(20)21-4)17-13-7-8-13/h11,13,17H,5-10H2,1-4H3
InChIKeyYMKCWHHASFLLSG-UHFFFAOYSA-N
XLogP2.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.08
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)-2-methylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate (CID 82699135) is methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate is CCc1cc(CC)n(CCC(C)(NC2CC2)C(=O)OC)n1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate?
The InChIKey is YMKCWHHASFLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-12-11-14(6-2)19(18-12)10-9-16(3,15(20)21-4)17-13-7-8-13/h11,13,17H,5-10H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate?
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate has a molecular weight of 293.41 g/mol, XLogP of 2.08, 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)-2-methylbutanoate is sourced from PubChem (CID 82699135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).