methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate

C14H25N3O2 — CID 114555320

IUPACmethyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
SMILESCCCn1nccc1CNC(C(=O)OC)C(C)CC
InChIInChI=1S/C14H25N3O2/c1-5-9-17-12(7-8-16-17)10-15-13(11(3)6-2)14(18)19-4/h7-8,11,13,15H,5-6,9-10H2,1-4H3
InChIKeyMPEZUYKYNQERAX-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.97
Rot. Bonds8

About methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate

methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate (PubChem CID 114555320) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
PubChem CID114555320
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namemethyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
SMILESCCCn1nccc1CNC(C(=O)OC)C(C)CC
InChIInChI=1S/C14H25N3O2/c1-5-9-17-12(7-8-16-17)10-15-13(11(3)6-2)14(18)19-4/h7-8,11,13,15H,5-6,9-10H2,1-4H3
InChIKeyMPEZUYKYNQERAX-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate (CID 114555320) is methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate is CCCn1nccc1CNC(C(=O)OC)C(C)CC.
What is the InChIKey of methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate?
The InChIKey is MPEZUYKYNQERAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-9-17-12(7-8-16-17)10-15-13(11(3)6-2)14(18)19-4/h7-8,11,13,15H,5-6,9-10H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate?
methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate has a molecular weight of 267.37 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate is sourced from PubChem (CID 114555320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).