2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide

C16H19BrN4O2 — CID 91958685

IUPAC2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)c1cc2oc(Br)cc2n1C
InChIInChI=1S/C16H19BrN4O2/c1-8(2)21-10(4)15(9(3)19-21)18-16(22)12-6-13-11(20(12)5)7-14(17)23-13/h6-8H,1-5H3,(H,18,22)
InChIKeyFRWDQZJKYCTTSU-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.18
Rot. Bonds3

About 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958685) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91958685
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)c1cc2oc(Br)cc2n1C
InChIInChI=1S/C16H19BrN4O2/c1-8(2)21-10(4)15(9(3)19-21)18-16(22)12-6-13-11(20(12)5)7-14(17)23-13/h6-8H,1-5H3,(H,18,22)
InChIKeyFRWDQZJKYCTTSU-UHFFFAOYSA-N
XLogP4.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-methyl-N-(5-methyl-2-propylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958679
5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
CID 65307383
2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958659
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylpropanamide
CID 114328057
5-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625914
4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959057
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 99773500
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958694
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
CID 61101805
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide
CID 61215930
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54863652

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 91958685) is 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide is Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2oc(Br)cc2n1C.
What is the InChIKey of 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is FRWDQZJKYCTTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-8(2)21-10(4)15(9(3)19-21)18-16(22)12-6-13-11(20(12)5)7-14(17)23-13/h6-8H,1-5H3,(H,18,22).
What are the key properties of 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).