(1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate

C15H22N4O2 — CID 64778440

IUPAC(1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCC(CC)n1ccc(COC(=O)c2cc(N)cn2C)n1
InChIInChI=1S/C15H22N4O2/c1-4-13(5-2)19-7-6-12(17-19)10-21-15(20)14-8-11(16)9-18(14)3/h6-9,13H,4-5,10,16H2,1-3H3
InChIKeyDWRBHPNKBIIARJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.52
Rot. Bonds6

About (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate

(1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 64778440) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID64778440
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCCC(CC)n1ccc(COC(=O)c2cc(N)cn2C)n1
InChIInChI=1S/C15H22N4O2/c1-4-13(5-2)19-7-6-12(17-19)10-21-15(20)14-8-11(16)9-18(14)3/h6-9,13H,4-5,10,16H2,1-3H3
InChIKeyDWRBHPNKBIIARJ-UHFFFAOYSA-N
XLogP2.52
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate (CID 64778440) is (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate is CCC(CC)n1ccc(COC(=O)c2cc(N)cn2C)n1.
What is the InChIKey of (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is DWRBHPNKBIIARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-13(5-2)19-7-6-12(17-19)10-21-15(20)14-8-11(16)9-18(14)3/h6-9,13H,4-5,10,16H2,1-3H3.
What are the key properties of (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
(1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 64778440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).