methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate

C7H13N3O2 — CID 121319118

IUPACmethyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate
SMILESCCC1(C(=O)OC)C=C(N)NN1
InChIInChI=1S/C7H13N3O2/c1-3-7(6(11)12-2)4-5(8)9-10-7/h4,9-10H,3,8H2,1-2H3
InChIKeyHQAIORCOZRQRGH-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.78
Rot. Bonds2

About methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate

methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate (PubChem CID 121319118) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate
PubChem CID121319118
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Namemethyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate
SMILESCCC1(C(=O)OC)C=C(N)NN1
InChIInChI=1S/C7H13N3O2/c1-3-7(6(11)12-2)4-5(8)9-10-7/h4,9-10H,3,8H2,1-2H3
InChIKeyHQAIORCOZRQRGH-UHFFFAOYSA-N
XLogP-0.78
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate (CID 121319118) is methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate is CCC1(C(=O)OC)C=C(N)NN1.
What is the InChIKey of methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate?
The InChIKey is HQAIORCOZRQRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-7(6(11)12-2)4-5(8)9-10-7/h4,9-10H,3,8H2,1-2H3.
What are the key properties of methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate?
methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate has a molecular weight of 171.20 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-ethyl-1,2-dihydropyrazole-3-carboxylate is sourced from PubChem (CID 121319118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).