(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate

C14H20N4O2 — CID 62127870

IUPAC(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cnn(CC)c1
InChIInChI=1S/C14H20N4O2/c1-3-5-17-9-12(15)6-13(17)14(19)20-10-11-7-16-18(4-2)8-11/h6-9H,3-5,10,15H2,1-2H3
InChIKeyUHKHSDKUEZXKIW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.05
Rot. Bonds6

About (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate

(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 62127870) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID62127870
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCc1cnn(CC)c1
InChIInChI=1S/C14H20N4O2/c1-3-5-17-9-12(15)6-13(17)14(19)20-10-11-7-16-18(4-2)8-11/h6-9H,3-5,10,15H2,1-2H3
InChIKeyUHKHSDKUEZXKIW-UHFFFAOYSA-N
XLogP2.05
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate (CID 62127870) is (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCc1cnn(CC)c1.
What is the InChIKey of (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is UHKHSDKUEZXKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-5-17-9-12(15)6-13(17)14(19)20-10-11-7-16-18(4-2)8-11/h6-9H,3-5,10,15H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate?
(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 62127870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).