2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

C18H19BrN4O2 — CID 91959028

IUPAC2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccnn2C(C)C2CC2)cc2oc(Br)cc21
InChIInChI=1S/C18H19BrN4O2/c1-3-8-22-13-10-16(19)25-15(13)9-14(22)18(24)21-17-6-7-20-23(17)11(2)12-4-5-12/h3,6-7,9-12H,1,4-5,8H2,2H3,(H,21,24)
InChIKeyAGTPSKCZYRILNL-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.60
Rot. Bonds6

About 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91959028) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91959028
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccnn2C(C)C2CC2)cc2oc(Br)cc21
InChIInChI=1S/C18H19BrN4O2/c1-3-8-22-13-10-16(19)25-15(13)9-14(22)18(24)21-17-6-7-20-23(17)11(2)12-4-5-12/h3,6-7,9-12H,1,4-5,8H2,2H3,(H,21,24)
InChIKeyAGTPSKCZYRILNL-UHFFFAOYSA-N
XLogP4.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-prop-2-enyl-N-pyridin-4-ylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959017
4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959057
2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958944
4-benzyl-2-bromo-N-(2-butan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959051
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959003
(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 91959016
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 95340854
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (CID 91959028) is 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)Nc2ccnn2C(C)C2CC2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is AGTPSKCZYRILNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c1-3-8-22-13-10-16(19)25-15(13)9-14(22)18(24)21-17-6-7-20-23(17)11(2)12-4-5-12/h3,6-7,9-12H,1,4-5,8H2,2H3,(H,21,24).
What are the key properties of 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91959028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).