(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone

C13H22N4O2 — CID 66125350

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2c(N)c(C)nn2C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-19-10-5-7-17(8-6-10)13(18)12-11(14)9(2)15-16(12)3/h10H,4-8,14H2,1-3H3
InChIKeyYDQDMWWMFLFJCY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.95
Rot. Bonds3

About (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 66125350) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID66125350
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2c(N)c(C)nn2C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-19-10-5-7-17(8-6-10)13(18)12-11(14)9(2)15-16(12)3/h10H,4-8,14H2,1-3H3
InChIKeyYDQDMWWMFLFJCY-UHFFFAOYSA-N
XLogP0.95
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
4-amino-5-ethyl-1-(2-methoxyethyl)-1H-Pyrazole-3-carboxamide
CID 11264312
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide
CID 39890766
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 39890794
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
4-Amino-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxamide
CID 58935516
4-Amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 68889746
4-Amino-2-(2-ethoxyethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 69368658
4-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 87800601
4-amino-N,3-diethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66116752
4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
CID 66116982
4-amino-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66121639

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone (CID 66125350) is (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2c(N)c(C)nn2C)CC1.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is YDQDMWWMFLFJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-19-10-5-7-17(8-6-10)13(18)12-11(14)9(2)15-16(12)3/h10H,4-8,14H2,1-3H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 66125350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).