2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

C17H19BrN4O2 — CID 91958944

IUPAC2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)Nc2cc(C)nn2CCC)cc2oc(Br)cc21
InChIInChI=1S/C17H19BrN4O2/c1-4-6-21-12-10-15(18)24-14(12)9-13(21)17(23)19-16-8-11(3)20-22(16)7-5-2/h4,8-10H,1,5-7H2,2-3H3,(H,19,23)
InChIKeyKKZAHFVDXFSSHT-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.35
Rot. Bonds6

About 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958944) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91958944
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)Nc2cc(C)nn2CCC)cc2oc(Br)cc21
InChIInChI=1S/C17H19BrN4O2/c1-4-6-21-12-10-15(18)24-14(12)9-13(21)17(23)19-16-8-11(3)20-22(16)7-5-2/h4,8-10H,1,5-7H2,2-3H3,(H,19,23)
InChIKeyKKZAHFVDXFSSHT-UHFFFAOYSA-N
XLogP4.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (CID 91958944) is 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)Nc2cc(C)nn2CCC)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KKZAHFVDXFSSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-4-6-21-12-10-15(18)24-14(12)9-13(21)17(23)19-16-8-11(3)20-22(16)7-5-2/h4,8-10H,1,5-7H2,2-3H3,(H,19,23).
What are the key properties of 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).