methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate

C13H23N3O2 — CID 114075698

IUPACmethyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NCC(C)C)c1cnn(C(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-9(2)6-14-12(13(17)18-5)11-7-15-16(8-11)10(3)4/h7-10,12,14H,6H2,1-5H3
InChIKeyQKRCCXFAVWWXLP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.92
Rot. Bonds6

About methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate

methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate (PubChem CID 114075698) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
PubChem CID114075698
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Namemethyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NCC(C)C)c1cnn(C(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-9(2)6-14-12(13(17)18-5)11-7-15-16(8-11)10(3)4/h7-10,12,14H,6H2,1-5H3
InChIKeyQKRCCXFAVWWXLP-UHFFFAOYSA-N
XLogP1.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
CID 61002889
methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770676
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
2-[2-(dimethylamino)ethylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075692
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide
CID 130683619
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 172639251
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
methyl 1-propan-2-ylpyrazole-4-carboxylate
CID 55291716
4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
CID 83835021
2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
CID 115718660
2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
CID 112709525
N-ethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 62729985

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate (CID 114075698) is methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate is COC(=O)C(NCC(C)C)c1cnn(C(C)C)c1.
What is the InChIKey of methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate?
The InChIKey is QKRCCXFAVWWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)6-14-12(13(17)18-5)11-7-15-16(8-11)10(3)4/h7-10,12,14H,6H2,1-5H3.
What are the key properties of methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate?
methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate has a molecular weight of 253.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate is sourced from PubChem (CID 114075698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).