ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate

C11H19N3O2 — CID 107344838

IUPACethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC(C)CC)cc1N
InChIInChI=1S/C11H19N3O2/c1-4-8(3)6-14-7-9(12)10(13-14)11(15)16-5-2/h7-8H,4-6,12H2,1-3H3
InChIKeyYNPGDGXAMPIDSM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.69
Rot. Bonds5

About ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate

ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate (PubChem CID 107344838) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
PubChem CID107344838
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC(C)CC)cc1N
InChIInChI=1S/C11H19N3O2/c1-4-8(3)6-14-7-9(12)10(13-14)11(15)16-5-2/h7-8H,4-6,12H2,1-3H3
InChIKeyYNPGDGXAMPIDSM-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344903
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
ethyl 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344799
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
CID 107891686
ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
CID 107344921
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048
ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
ethyl 4-amino-1-[2-(cyanomethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344822
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate (CID 107344838) is ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(CC(C)CC)cc1N.
What is the InChIKey of ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate?
The InChIKey is YNPGDGXAMPIDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-8(3)6-14-7-9(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-(2-methylbutyl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.69, 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-(2-methylbutyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).