methyl 5-amino-3-propylpyrazole-1-carboxylate

C8H13N3O2 — CID 57172956

IUPACmethyl 5-amino-3-propylpyrazole-1-carboxylate
SMILESCCCc1cc(N)n(C(=O)OC)n1
InChIInChI=1S/C8H13N3O2/c1-3-4-6-5-7(9)11(10-6)8(12)13-2/h5H,3-4,9H2,1-2H3
InChIKeyDESDWXUEEHODIT-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.03
Rot. Bonds2

About methyl 5-amino-3-propylpyrazole-1-carboxylate

methyl 5-amino-3-propylpyrazole-1-carboxylate (PubChem CID 57172956) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 5-amino-3-propylpyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-propylpyrazole-1-carboxylate
PubChem CID57172956
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl 5-amino-3-propylpyrazole-1-carboxylate
SMILESCCCc1cc(N)n(C(=O)OC)n1
InChIInChI=1S/C8H13N3O2/c1-3-4-6-5-7(9)11(10-6)8(12)13-2/h5H,3-4,9H2,1-2H3
InChIKeyDESDWXUEEHODIT-UHFFFAOYSA-N
XLogP1.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-propylpyrazole-1-carboxylate?
The IUPAC name of methyl 5-amino-3-propylpyrazole-1-carboxylate (CID 57172956) is methyl 5-amino-3-propylpyrazole-1-carboxylate.
What is the SMILES notation for methyl 5-amino-3-propylpyrazole-1-carboxylate?
The canonical SMILES for methyl 5-amino-3-propylpyrazole-1-carboxylate is CCCc1cc(N)n(C(=O)OC)n1.
What is the InChIKey of methyl 5-amino-3-propylpyrazole-1-carboxylate?
The InChIKey is DESDWXUEEHODIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-4-6-5-7(9)11(10-6)8(12)13-2/h5H,3-4,9H2,1-2H3.
What are the key properties of methyl 5-amino-3-propylpyrazole-1-carboxylate?
methyl 5-amino-3-propylpyrazole-1-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-propylpyrazole-1-carboxylate is sourced from PubChem (CID 57172956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).