2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

C18H21BrN4O2 — CID 91958920

IUPAC2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCc2c(C)nn(CC)c2C)cc2oc(Br)cc21
InChIInChI=1S/C18H21BrN4O2/c1-5-7-22-14-9-17(19)25-16(14)8-15(22)18(24)20-10-13-11(3)21-23(6-2)12(13)4/h5,8-9H,1,6-7,10H2,2-4H3,(H,20,24)
InChIKeyKESVTTBRSMGDIG-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.95
Rot. Bonds6

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

2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958920) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91958920
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC Name2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCc2c(C)nn(CC)c2C)cc2oc(Br)cc21
InChIInChI=1S/C18H21BrN4O2/c1-5-7-22-14-9-17(19)25-16(14)8-15(22)18(24)20-10-13-11(3)21-23(6-2)12(13)4/h5,8-9H,1,6-7,10H2,2-4H3,(H,20,24)
InChIKeyKESVTTBRSMGDIG-UHFFFAOYSA-N
XLogP3.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.95
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-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958944
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959003
4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 91959049
2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 35524422
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999124
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 129322576
2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958966
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
CID 118776566
1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea
CID 71982725
methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 90647625
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569131
2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958726

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (CID 91958920) is 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)NCc2c(C)nn(CC)c2C)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KESVTTBRSMGDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-5-7-22-14-9-17(19)25-16(14)8-15(22)18(24)20-10-13-11(3)21-23(6-2)12(13)4/h5,8-9H,1,6-7,10H2,2-4H3,(H,20,24).
What are the key properties of 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 405.30 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).