methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate

C15H25N3O2 — CID 79584453

IUPACmethyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NC1CCCCCC1)c1cnn(C)c1C
InChIInChI=1S/C15H25N3O2/c1-11-13(10-16-18(11)2)14(15(19)20-3)17-12-8-6-4-5-7-9-12/h10,12,14,17H,4-9H2,1-3H3
InChIKeyVGZJGLGTEAQLMI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.26
Rot. Bonds4

About methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate

methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate (PubChem CID 79584453) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
PubChem CID79584453
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NC1CCCCCC1)c1cnn(C)c1C
InChIInChI=1S/C15H25N3O2/c1-11-13(10-16-18(11)2)14(15(19)20-3)17-12-8-6-4-5-7-9-12/h10,12,14,17H,4-9H2,1-3H3
InChIKeyVGZJGLGTEAQLMI-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(prop-2-ynylamino)acetate
CID 79583513
methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584636
methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
CID 171865435
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine
CID 103981520
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate
CID 83091200
2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79584889
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate
CID 113469426

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate (CID 79584453) is methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate is COC(=O)C(NC1CCCCCC1)c1cnn(C)c1C.
What is the InChIKey of methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate?
The InChIKey is VGZJGLGTEAQLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-13(10-16-18(11)2)14(15(19)20-3)17-12-8-6-4-5-7-9-12/h10,12,14,17H,4-9H2,1-3H3.
What are the key properties of methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate?
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate has a molecular weight of 279.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate is sourced from PubChem (CID 79584453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).