(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate

C14H23N3O2 — CID 115289019

IUPAC(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate
SMILESCC1CCC(OC(=O)C(N)c2cnn(C)c2)CC1C
InChIInChI=1S/C14H23N3O2/c1-9-4-5-12(6-10(9)2)19-14(18)13(15)11-7-16-17(3)8-11/h7-10,12-13H,4-6,15H2,1-3H3
InChIKeyHVJPGUJGKOTMKT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.79
Rot. Bonds3

About (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate

(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate (PubChem CID 115289019) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate
PubChem CID115289019
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate
SMILESCC1CCC(OC(=O)C(N)c2cnn(C)c2)CC1C
InChIInChI=1S/C14H23N3O2/c1-9-4-5-12(6-10(9)2)19-14(18)13(15)11-7-16-17(3)8-11/h7-10,12-13H,4-6,15H2,1-3H3
InChIKeyHVJPGUJGKOTMKT-UHFFFAOYSA-N
XLogP1.79
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114520707
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate
CID 65355995
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate (CID 115289019) is (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate is CC1CCC(OC(=O)C(N)c2cnn(C)c2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The InChIKey is HVJPGUJGKOTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-4-5-12(6-10(9)2)19-14(18)13(15)11-7-16-17(3)8-11/h7-10,12-13H,4-6,15H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate?
(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate has a molecular weight of 265.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate is sourced from PubChem (CID 115289019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).