ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate

C12H21N3O2 — CID 165476892

IUPACethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OCC)nn(C(C)C)c1N
InChIInChI=1S/C12H21N3O2/c1-5-7-9-10(12(16)17-6-2)14-15(8(3)4)11(9)13/h8H,5-7,13H2,1-4H3
InChIKeyCVIWYGYBFHQPNG-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.18
Rot. Bonds5

About ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate

ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate (PubChem CID 165476892) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate
PubChem CID165476892
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OCC)nn(C(C)C)c1N
InChIInChI=1S/C12H21N3O2/c1-5-7-9-10(12(16)17-6-2)14-15(8(3)4)11(9)13/h8H,5-7,13H2,1-4H3
InChIKeyCVIWYGYBFHQPNG-UHFFFAOYSA-N
XLogP2.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044
5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 105450680
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
ethyl 1-(1-methoxypropan-2-yl)-5-propyltriazole-4-carboxylate
CID 103106252
2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol
CID 117123289
methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate
CID 165485600
ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 90162051
ethyl 3-amino-4-chloro-1-propan-2-ylpyrazole-5-carboxylate
CID 19619969
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
ethyl 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxylate
CID 113458027
ethyl 3-methyl-4-nitro-1-propan-2-ylpyrazole-5-carboxylate
CID 135265179
ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate
CID 103106966

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate (CID 165476892) is ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate is CCCc1c(C(=O)OCC)nn(C(C)C)c1N.
What is the InChIKey of ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate?
The InChIKey is CVIWYGYBFHQPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-7-9-10(12(16)17-6-2)14-15(8(3)4)11(9)13/h8H,5-7,13H2,1-4H3.
What are the key properties of ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate?
ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate is sourced from PubChem (CID 165476892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).