methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate

C11H19N3O2 — CID 165475313

IUPACmethyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)nn(CCC)c1N
InChIInChI=1S/C11H19N3O2/c1-4-6-8-9(11(15)16-3)13-14(7-5-2)10(8)12/h4-7,12H2,1-3H3
InChIKeyXLXIKRCPKVNCGZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.61
Rot. Bonds5

About methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate

methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate (PubChem CID 165475313) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
PubChem CID165475313
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)nn(CCC)c1N
InChIInChI=1S/C11H19N3O2/c1-4-6-8-9(11(15)16-3)13-14(7-5-2)10(8)12/h4-7,12H2,1-3H3
InChIKeyXLXIKRCPKVNCGZ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate (CID 165475313) is methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate is CCCc1c(C(=O)OC)nn(CCC)c1N.
What is the InChIKey of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
The InChIKey is XLXIKRCPKVNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-8-9(11(15)16-3)13-14(7-5-2)10(8)12/h4-7,12H2,1-3H3.
What are the key properties of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate is sourced from PubChem (CID 165475313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).