ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate

C11H19N3O2 — CID 107891686

IUPACethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
SMILESCCCC(C)n1cc(N)c(C(=O)OCC)n1
InChIInChI=1S/C11H19N3O2/c1-4-6-8(3)14-7-9(12)10(13-14)11(15)16-5-2/h7-8H,4-6,12H2,1-3H3
InChIKeyPXEYYTYEWSQZQP-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.00
Rot. Bonds5

About ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate

ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate (PubChem CID 107891686) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
PubChem CID107891686
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
SMILESCCCC(C)n1cc(N)c(C(=O)OCC)n1
InChIInChI=1S/C11H19N3O2/c1-4-6-8(3)14-7-9(12)10(13-14)11(15)16-5-2/h7-8H,4-6,12H2,1-3H3
InChIKeyPXEYYTYEWSQZQP-UHFFFAOYSA-N
XLogP2.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate
CID 107344871
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
4-amino-1-butan-2-ylpyrazole-3-carboxamide
CID 107345234
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344799
4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
CID 107345192
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344903
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
CID 107344703

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate (CID 107891686) is ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate is CCCC(C)n1cc(N)c(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate?
The InChIKey is PXEYYTYEWSQZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-8(3)14-7-9(12)10(13-14)11(15)16-5-2/h7-8H,4-6,12H2,1-3H3.
What are the key properties of ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate?
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 107891686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).