3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate

C14H20N4O2 — CID 61492877

IUPAC3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCCCn1ccnc1
InChIInChI=1S/C14H20N4O2/c1-2-5-18-10-12(15)9-13(18)14(19)20-8-3-6-17-7-4-16-11-17/h4,7,9-11H,2-3,5-6,8,15H2,1H3
InChIKeyCUZPACPZZQWEOC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.92
Rot. Bonds7

About 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate

3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 61492877) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID61492877
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCCCn1ccnc1
InChIInChI=1S/C14H20N4O2/c1-2-5-18-10-12(15)9-13(18)14(19)20-8-3-6-17-7-4-16-11-17/h4,7,9-11H,2-3,5-6,8,15H2,1H3
InChIKeyCUZPACPZZQWEOC-UHFFFAOYSA-N
XLogP1.92
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
3-imidazol-1-ylpropyl 5-amino-2-methylbenzoate
CID 61493246
3-imidazol-1-ylpropyl 3-amino-4-chlorobenzoate
CID 61493172
3-imidazol-1-ylpropyl 3-amino-4-bromobenzoate
CID 61492876
3-imidazol-1-ylpropyl 5-amino-2-fluoro-3-methylbenzoate
CID 103298018
nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
3-imidazol-1-ylpropyl 3-amino-4-(dimethylamino)benzoate
CID 61492986
2-tert-butylsulfonylethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 106728792
3-imidazol-1-ylpropyl 5-amino-2,4-difluorobenzoate
CID 61492769
4-imidazol-1-ylbutyl 2,2-dimethylpropanoate
CID 121289390
(5-bromo-3-pyridinyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 104808454
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate (CID 61492877) is 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is CUZPACPZZQWEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-5-18-10-12(15)9-13(18)14(19)20-8-3-6-17-7-4-16-11-17/h4,7,9-11H,2-3,5-6,8,15H2,1H3.
What are the key properties of 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate?
3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 61492877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).