methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate

C15H25N3O2 — CID 106490015

IUPACmethyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate
SMILESCCn1nc(C)cc1CC(CN)(CC1CC1)C(=O)OC
InChIInChI=1S/C15H25N3O2/c1-4-18-13(7-11(2)17-18)9-15(10-16,14(19)20-3)8-12-5-6-12/h7,12H,4-6,8-10,16H2,1-3H3
InChIKeyMORWHQJSAKUUAH-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.67
Rot. Bonds7

About methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate

methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate (PubChem CID 106490015) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate
PubChem CID106490015
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate
SMILESCCn1nc(C)cc1CC(CN)(CC1CC1)C(=O)OC
InChIInChI=1S/C15H25N3O2/c1-4-18-13(7-11(2)17-18)9-15(10-16,14(19)20-3)8-12-5-6-12/h7,12H,4-6,8-10,16H2,1-3H3
InChIKeyMORWHQJSAKUUAH-UHFFFAOYSA-N
XLogP1.67
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate (CID 106490015) is methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate is CCn1nc(C)cc1CC(CN)(CC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate?
The InChIKey is MORWHQJSAKUUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18-13(7-11(2)17-18)9-15(10-16,14(19)20-3)8-12-5-6-12/h7,12H,4-6,8-10,16H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate?
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate has a molecular weight of 279.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate is sourced from PubChem (CID 106490015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).