4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C13H23N3O2 — CID 66125657

IUPAC4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC(C)CC(C)C
InChIInChI=1S/C13H23N3O2/c1-6-16-12(11(14)10(5)15-16)13(17)18-9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3
InChIKeyKAKMVEFAZXRCPF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.39
Rot. Bonds5

About 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66125657) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66125657
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC(C)CC(C)C
InChIInChI=1S/C13H23N3O2/c1-6-16-12(11(14)10(5)15-16)13(17)18-9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3
InChIKeyKAKMVEFAZXRCPF-UHFFFAOYSA-N
XLogP2.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125280
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124501
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide
CID 104550920
[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125085
2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124113
oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125269
4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
CID 66125647
thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66123924
oxan-4-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124690
methyl 3-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66123492

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66125657) is 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OC(C)CC(C)C.
What is the InChIKey of 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is KAKMVEFAZXRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-16-12(11(14)10(5)15-16)13(17)18-9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3.
What are the key properties of 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66125657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).